AC1MIFTF

methanesulfonic acid;3-[4-[3-(2-methylpropylsulfanyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-yl]propan-1-ol

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

Molecular Formula	C26H38N2O4S3
Molecular Weight	538.19934 g/mol
LogP	4.6871
Topological Polar Surface Area	81.08 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	538.19934
Monoisotopic Mass	538.19934
Heavy Atoms	35
Complexity	1046.3125

Chemical Identifiers

CAS Number	56057-00-2
SMILES	CC(C)CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO.CS(=O)(=O)O