RefChem:1095781 structure

RefChem:1095781

(E)-but-2-enedioic acid;1-(3-chloro-10-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine

Also Known As: 1-(2-Chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate|Piperazine, 1-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)|(E)-but-2-enedioic acid; 1-(3-chloro-10-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine

CAS: 73129-44-9
Molecular Formula C23H24ClFN2O4S
Molecular Weight 478.11295 g/mol
LogP 4.1867
Topological Polar Surface Area 81.08 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 3
Exact Mass 478.11295
Monoisotopic Mass 478.11295
Heavy Atoms 32
Complexity 1009.05115

Chemical Identifiers

CAS Number 73129-44-9
SMILES CN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=CC=C4F.C(=C/C(=O)O)\C(=O)O

Product Overview

RefChem:1095781 (CAS 73129-44-9), with molecular formula C23H24ClFN2O4S and molecular weight 478.11295 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-chloro-10-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine.

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