CTK5E8029 structure

CTK5E8029

but-2-enedioic acid;1-(2,9-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine

Also Known As: 1-(10,11-Dihydro-3,7-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate|3,7-Dimethoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate|1-(10,11-DIHYDRO-3,7-DIMETHOXYDIBENZO[B,F]THIEPIN-10-YL)-4-METHYLPIPER AZINE MALEATE|Piperazine, 1-(10,11-dihydro-3,7-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)

CAS: 80709-63-3
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 80709-63-3
SMILES CN1CCN(CC1)C2CC3=C(C=C(C=C3)OC)SC4=C2C=CC(=C4)OC.C(=CC(=O)O)C(=O)O

Product Overview

CTK5E8029 (CAS 80709-63-3), with molecular formula C25H30N2O6S and molecular weight 486.18246 g/mol. IUPAC: but-2-enedioic acid;1-(2,9-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.

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