AC1MHQ9A

1-(1-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid

Also Known As: C19H21FN2S.2CH4O3S.1/2H2O|6-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate) 1/2H2O|Piperazine, 1-(10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (2:4:1)|C19-H21-F-N2-S.2C-H4-O3-S.1/2H2-O|1-(1-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid|Methanesulfonic acid--1-(6-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (2/1)

Molecular Formula	C21H29FN2O6S3
Molecular Weight	520.1172 g/mol
LogP	2.8295
Topological Polar Surface Area	115.22 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	1
Exact Mass	520.1172
Monoisotopic Mass	520.1172
Heavy Atoms	33
Complexity	1104.34

Chemical Identifiers

CAS Number	73129-35-8
SMILES	CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=CC=C4F.CS(=O)(=O)O.CS(=O)(=O)O