Ethanone,1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-chlorophenoxy)- (34161-24-5)

The Fipexide with the cas number 34161-24-5 is also called Ethanone,1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-chlorophenoxy)-. Both the systematic name and IUPAC name are 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone. Its molecular formula is C₂₀H₂₁ClN₂O₄. The EINECS registry number is 251-857-4.

The properties of the chemical are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 102.58; (6)ACD/BCF (pH 7.4): 122.37; (7)ACD/KOC (pH 5.5): 909.99; (8)ACD/KOC (pH 7.4): 1085.6; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 51.24 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 101.25 cm³; (15)Molar Volume: 289.6 cm³; (16)Polarizability: 40.14×10^-24cm³; (17)Surface Tension: 55.7 dyne/cm; (18)Enthalpy of Vaporization: 84.16 kJ/mol; (19)Vapour Pressure: 1.53×10^-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc4ccc(OCC(=O)N1CCN(CC1)Cc2ccc3OCOc3c2)cc4
(2)InChI: InChI=1/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2
(3)InChIKey: BFUJHVVEMMWLHC-UHFFFAOYAN