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1H-Indole-2-carboxamide,5-chloro-3-ethyl-N-[2-[4-(1-piperidinyl)phenyl]ethyl]- (868273-06-7)

Identification
Name:1H-Indole-2-carboxamide,5-chloro-3-ethyl-N-[2-[4-(1-piperidinyl)phenyl]ethyl]-
Synonyms:Org 27569
CAS:868273-06-7
EINECS: 278-169-7
Molecular Formula: C24H28 Cl N3 O
Molecular Weight: 0
InChI: InChI=1/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)
Molecular Structure: (C24H28ClN3O) Org 27569
Properties
Flash Point: 353.2°C
Boiling Point: 660.3°C at 760 mmHg
Density:1.218g/cm3
Refractive index:1.635
Specification:

1H-Indole-2-carboxamide,5-chloro-3-ethyl-N-[2-[4-(1-piperidinyl)phenyl]ethyl]-, with its cas registry number 868273-06-7, has its systematic name of 5-chloro-3-ethyl-N-[2-[4-(1-piperidyl)phenyl]ethyl]-1H-indole-2-carboxamide. 

The physical properties of this chemical are as follows: (1)ACD/LogP: 6.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.88; (4)ACD/LogD (pH 7.4): 6.35; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 48.13; (9)Index of Refraction: 1.635; (10)Molar Refractivity: 120.53 cm3; (11)Molar Volume: 336.4 cm3; (12)Polarizability: 47.78 ×10-24 cm3; (13)Surface Tension: 53 dyne/cm; (14)Density: 1.218 g/cm3; (15)Flash Point: 353.2 °C; (16)Enthalpy of Vaporization: 97.17 kJ/mol; (17)Boiling Point: 660.3 °C at 760 mmHg; (18)Vapour Pressure: 2.61E-17 mmHg at 25°C. 

When you are dealing with this chemical, please be cautious. Being a kind of harmful chemical, it may may cause damage to health. And if swallowed, it will be very dangerous. Therefore, you should wear suitable protective clothing and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:CCc1c2cc(ccc2[nH]c1C(=O)NCCc3ccc(cc3)N4CCCCC4)Cl
(2)InChI:InChI=1/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)
(3)InChIKey:AHFZDNYNXFMRFQ-UHFFFAOYAV

Biological Activity: Potent CB 1 receptor allosteric modulator (pEC 50 = 8.24). Significantly increases binding of the CB 1 agonist [ 3 H]CP 55.940 (pK b = 5.67) and decreases binding of the CB 1 inverse agonist [ 3 H]SR 141716A (pK b = 5.95). Inhibits CB 1 receptor antagonist efficacy in vitro (pK b = 7.57).
Flash Point: 353.2°C
Storage Temperature: 2-8°C
Safety Data
Hazard Symbols Xn: Harmful
 

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