RefChem:1056545 structure

RefChem:1056545

(E)-but-2-enedioic acid;2-[4-(1-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol

Also Known As: 4-(10,11-Dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate|1-Piperazineethanol, 4-(10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate|(E)-but-2-enedioic acid; 2-[4-(1-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol

CAS: 73129-41-6
Molecular Formula C24H27FN2O5S
Molecular Weight 474.16248 g/mol
LogP 2.8958
Topological Polar Surface Area 101.31 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 474.16248
Monoisotopic Mass 474.16248
Heavy Atoms 33
Complexity 992.0991

Chemical Identifiers

CAS Number 73129-41-6
SMILES C1CN(CCN1CCO)C2CC3=CC=CC=C3SC4=C2C=CC=C4F.C(=C/C(=O)O)\C(=O)O

Product Overview

RefChem:1056545 (CAS 73129-41-6), with molecular formula C24H27FN2O5S and molecular weight 474.16248 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[4-(1-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol.

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