VUFB-14131

2-[4-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethyl]piperazin-1-yl]ethyl 2-chlorobenzoate;dihydrochloride

Also Known As: Benzoic acid, 2-chloro-, 2-(4-(2-(8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)ethyl)-1-piperazinyl)ethyl ester, dihydrochloride|2-(4-{2-[8-Fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]ethyl}piperazin-1-yl)ethyl 2-chlorobenzoate--hydrogen chloride (1/2)|2-[4-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethyl]piperazin-1-yl]ethyl 2-chlorobenzoate dihydrochloride

Molecular Formula	C31H36Cl3F2N3O2
Molecular Weight	625.18414 g/mol
LogP	6.6685
Topological Polar Surface Area	36.02 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	625.18414
Monoisotopic Mass	625.18414
Heavy Atoms	41
Complexity	1273.7179

Chemical Identifiers

CAS Number	77796-08-8
SMILES	C1CC(C2=C(C=C(C=C2)F)N(C1)CCN3CCN(CC3)CCOC(=O)C4=CC=CC=C4Cl)C5=CC=C(C=C5)F.Cl.Cl