6-Bromo-alpha-[2-(dimethylamino)ethyl]-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-3-quinolineethanol (843663-66-1)

The 6-Bromo-alpha-[2-(dimethylamino)ethyl]-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-3-quinolineethanol with the CAS number 843663-66-1 is also called TMC-207. Both the systematic name and IUPAC name are 1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol. Its molecular formula is C₃₂H₃₁BrN₂O₂. This chemical is a diarylquinoline Antitubercular Agent.

The properties of the 6-Bromo-alpha-[2-(dimethylamino)ethyl]-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-3-quinolineethanol are: (1)ACD/LogP: 7.03; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 4.1; (4)ACD/LogD (pH 7.4): 5.5; (5)ACD/BCF (pH 5.5): 151.27; (6)ACD/BCF (pH 7.4): 3776.5; (7)ACD/KOC (pH 5.5): 185.09; (8)ACD/KOC (pH 7.4): 4620.73; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 34.59 Å²; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 156.19 cm³; (15)Molar Volume: 420 cm³; (16)Polarizability: 61.92×10^-24cm³; (17)Surface Tension: 52.6 dyne/cm; (18)Enthalpy of Vaporization: 107.98 kJ/mol; (19)Vapour Pressure: 1.01×10^-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2nc(OC)c(cc2c1)C(c3ccccc3)C(O)(c5c4ccccc4ccc5)CCN(C)C
(2)InChI: InChI=1/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3
(3)InChIKey: QUIJNHUBAXPXFS-UHFFFAOYAJ