VUFB-12393

1-(3,9-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid

Also Known As: Piperazine, 1-(10,11-dihydro-3,8-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (1:2:1)|3,8-Dimethoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O|1-(3,9-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid|Methanesulfonic acid--1-(3,8-dimethoxy-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (2/1)

Molecular Formula	C23H34N2O8S3
Molecular Weight	562.1477 g/mol
LogP	2.7076
Topological Polar Surface Area	133.68 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	3
Exact Mass	562.1477
Monoisotopic Mass	562.1477
Heavy Atoms	36
Complexity	1181.915

Chemical Identifiers

CAS Number	73029-64-8
SMILES	CN1CCN(CC1)C2CC3=C(C=C(C=C3)OC)SC4=C2C=C(C=C4)OC.CS(=O)(=O)O.CS(=O)(=O)O