Azeliragon

The 3-(4-{2-Butyl-1-[4-(4-chlorphenoxy)phenyl]-1H-imidazol-4-yl}phenoxy)-N,N-diethylpropan-1-amin is an organic compound with the formula C₃₂H₃₈ClN₃O₂. The systematic name of this chemical is 3-(4-{2-butyl-1-[4-(4-chlorophenoxy)phenyl]-1H-imidazol-4-yl}phenoxy)-N,N-diethylpropan-1-amine. With the CAS registry number 603148-36-3, it is also named as -Propanamine, 3-[4-[2-butyl-1-[4-(4-chlorophenoxy)phenyl]-1H-imidazol-4-yl]phenoxy]-N,N-diethyl-.

Physical properties about 3-(4-{2-Butyl-1-[4-(4-chlorphenoxy)phenyl]-1H-imidazol-4-yl}phenoxy)-N,N-diethylpropan-1-amin are: (1)ACD/LogP: 8.98; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.38; (4)ACD/LogD (pH 7.4): 6.36; (5)ACD/BCF (pH 5.5): 993.29; (6)ACD/BCF (pH 7.4): 9530.66; (7)ACD/KOC (pH 5.5): 462.34; (8)ACD/KOC (pH 7.4): 4436.1; (9)#H bond acceptors: 5; (10)#Freely Rotating Bonds: 14; (11)Polar Surface Area: 39.52 Å²; (12)Index of Refraction: 1.572; (13)Molar Refractivity: 157.62 cm³; (14)Molar Volume: 478.9 cm³; (15)Polarizability: 62.48×10^-24cm³; (16)Surface Tension: 39.8 dyne/cm; (17)Density: 1.11 g/cm³; (18)Flash Point: 357.6 °C; (19)Enthalpy of Vaporization: 98.15 kJ/mol; (20)Boiling Point: 667.7 °C at 760 mmHg; (21)Vapour Pressure: 1.08E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc4ccc(Oc3ccc(n1cc(nc1CCCC)c2ccc(OCCCN(CC)CC)cc2)cc3)cc4
(2)InChI: InChI=1/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3
(3)InChIKey: KJNNWYBAOPXVJY-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3
(5)Std. InChIKey: KJNNWYBAOPXVJY-UHFFFAOYSA-N