AC1MIEM4

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

Also Known As: C26H34N2OS.2CH4O3S.1/2H2O|C26-H34-N2-O-S.2C-H4-O3-S.1/2H2-O|1-Piperazinepropanol, 4-(8-cyclopentyl-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (2:4:1)|3-[4-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol; methanesulfonic acid|Methanesulfonic acid--3-[4-(8-cyclopentyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazin-1-yl]propan-1-ol (2/1)

Molecular Formula	C28H42N2O7S3
Molecular Weight	614.2154 g/mol
LogP	4.1006
Topological Polar Surface Area	135.45 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	614.2154
Monoisotopic Mass	614.2154
Heavy Atoms	40
Complexity	1258.9332

Chemical Identifiers

CAS Number	54997-77-2
SMILES	CS(=O)(=O)O.CS(=O)(=O)O.C1CCC(C1)C2=CC3=C(C=C2)SC4=CC=CC=C4CC3N5CCN(CC5)CCCO