VUFB-12252

methanesulfonic acid;bis(1-(2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine)

Also Known As: C20H24N2OS.3/2CH4O3S.1/2H2O|3-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate hydrate|Piperazine, 1-(10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate,hydrate (2:3:1)|C20-H24-N2-O-S.3/2C-H4-O3-S.1/2H2-O|Methanesulfonic acid--1-(3-methoxy-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (3/2)|methanesulfonic acid; 1-(2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine

Molecular Formula	C43H60N4O11S5
Molecular Weight	968.2862 g/mol
LogP	5.894
Topological Polar Surface Area	194.53 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	14
Rotatable Bonds	4
Exact Mass	968.2862
Monoisotopic Mass	968.2862
Heavy Atoms	63
Complexity	2222.456

Chemical Identifiers

CAS Number	73129-08-5
SMILES	CN1CCN(CC1)C2CC3=C(C=C(C=C3)OC)SC4=CC=CC=C24.CN1CCN(CC1)C2CC3=C(C=C(C=C3)OC)SC4=CC=CC=C24.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O