AC1MICSA

2-[4-(3-bromo-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol;butanedioic acid

Also Known As: 2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate|1-Piperazineethanol, 4-(8-bromo-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, butanedioate (1:1)|2-[4-(3-bromo-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol; butanedioic acid|Butanedioic acid--2-[4-(8-bromo-3-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazin-1-yl]ethan-1-ol (1/1)

Molecular Formula	C24H28BrFN2O5S
Molecular Weight	554.0886 g/mol
LogP	3.8823
Topological Polar Surface Area	101.31 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	554.0886
Monoisotopic Mass	554.0886
Heavy Atoms	34
Complexity	1002.85297

Chemical Identifiers

CAS Number	80709-35-9
SMILES	C1CN(CCN1CCO)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)Br.C(CC(=O)O)C(=O)O