RefChem:1095722

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

Also Known As: 1-(10,11-Dihydro-7,8-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate hydrate|Piperazine, 1-(10,11-dihydro-7,8-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate, hydrate (1:1:1)|3,7-Dimethoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate monohydrate|(E)-but-2-enedioic acid; 1-(2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine|1-(7,8-Dimethoxy-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-4-methyl-piperazine; compound with (Z)-but-2-enedioic acid

Molecular Formula	C25H30N2O6S
Molecular Weight	486.18246 g/mol
LogP	3.4114
Topological Polar Surface Area	99.54 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	486.18246
Monoisotopic Mass	486.18246
Heavy Atoms	34
Complexity	1033.6965

Chemical Identifiers

CAS Number	80709-64-4
SMILES	CN1CCN(CC1)C2CC3=CC=CC=C3SC4=CC(=C(C=C24)OC)OC.C(=C/C(=O)O)\C(=O)O