AC1MINMD

1-(2-fluoro-3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid

Also Known As: C20H23FN2S.2CH4O3S.1/2H2O|Piperazine, 1-(10,11-dihydro-7-fluoro-8-methyldibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (2:4:1)|C20-H23-F-N2-S.2C-H4-O3-S.1/2H2-O|1-(2-fluoro-3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid|Methanesulfonic acid--1-(7-fluoro-8-methyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (2/1)

Molecular Formula	C22H31FN2O6S3
Molecular Weight	534.1328 g/mol
LogP	3.13792
Topological Polar Surface Area	115.22 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	1
Exact Mass	534.1328
Monoisotopic Mass	534.1328
Heavy Atoms	34
Complexity	1151.1157

Chemical Identifiers

CAS Number	64359-48-4
SMILES	CC1=CC2=C(C=C1F)SC3=CC=CC=C3CC2N4CCN(CC4)C.CS(=O)(=O)O.CS(=O)(=O)O