VUFB-12337

methanesulfonic acid;3-[4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol

Also Known As: 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1)|Methanesulfonic acid--3-{4-[8-(methanesulfonyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazin-1-yl}propan-1-ol (2/1)|methanesulfonic acid; 3-[4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol

Molecular Formula	C24H36N2O9S4
Molecular Weight	624.1304 g/mol
LogP	1.8465
Topological Polar Surface Area	169.59 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	5
Exact Mass	624.1304
Monoisotopic Mass	624.1304
Heavy Atoms	39
Complexity	1375.2458

Chemical Identifiers

CAS Number	74667-72-4
SMILES	CS(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO.CS(=O)(=O)O.CS(=O)(=O)O