RefChem:1095920 structure

RefChem:1095920

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

Also Known As: 1-(8-Chloro-10,11-dihydro-7-methoxydibenzo(b,f)thiepin-10-yl)-4-methylpiperazine dimaleate|Piperazine, 1-(8-chloro-10,11-dihydro-7-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:2)|(E)-but-2-enedioic acid; 1-(3-chloro-2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine

CAS: 64359-47-3
Molecular Formula C28H31ClN2O9S
Molecular Weight 606.14386 g/mol
LogP 3.768
Topological Polar Surface Area 164.91 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
Rotatable Bonds 6
Exact Mass 606.14386
Monoisotopic Mass 606.14386
Heavy Atoms 41
Complexity 1241.463

Chemical Identifiers

CAS Number 64359-47-3
SMILES CN1CCN(CC1)C2C3=CC(=C(C=C3SC4=CC=CC=C4C2)OC)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Product Overview

RefChem:1095920 (CAS 64359-47-3), with molecular formula C28H31ClN2O9S and molecular weight 606.14386 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-(3-chloro-2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.

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