RefChem:1095705

bis((E)-but-2-enedioic acid);1-(2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine

Also Known As: C21H26N2O2S.2C4H4O4.1/2H2O|2,3-Dimethoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b.f)thiepin dimaleate hemihydrate|C21-H26-N2-O2-S.2C4-H4-O4.1/2H2-O|Piperazine, 1-(10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate, hydrate (2:4:1)|(E)-but-2-enedioic acid; 1-(2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine

Molecular Formula	C29H34N2O10S
Molecular Weight	602.1934 g/mol
LogP	3.1232
Topological Polar Surface Area	174.14 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	602.1934
Monoisotopic Mass	602.1934
Heavy Atoms	42
Complexity	1253.4884

Chemical Identifiers

CAS Number	60969-97-3
SMILES	CN1CCN(CC1)C2C3=CC=CC=C3SC4=CC(=C(C=C4C2)OC)OC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O