RefChem:1095859

1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine;bis((E)-but-2-enedioic acid)

Also Known As: Piperazine, 1-(4,4-bis(4-fluorophenyl)butyl)-4-(8-chloro-3-fluoro-10,11- dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)|1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; (E)-but-2-enedioic acid|Piperazine, 1-(4,4-bis(4-fluorophenyl)butyl)-4-(8-chloro-3-fluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)

Molecular Formula	C42H40ClF3N2O8S
Molecular Weight	824.2146 g/mol
LogP	8.1592
Topological Polar Surface Area	155.68 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	11
Exact Mass	824.2146
Monoisotopic Mass	824.2146
Heavy Atoms	57
Complexity	1963.2512

Chemical Identifiers

CAS Number	77795-86-9
SMILES	C1N(CCN(C1)C2C3=C(SC4=C(C2)C=CC(=C4)F)C=CC(=C3)Cl)CCCC(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O