AC1MHZ13 structure

AC1MHZ13

1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-fluorophenoxy)ethyl]piperazine

Also Known As: 2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin|1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-fluorophenoxy)ethyl]piperazine|1-{6-chloro-14-fluoro-2-thiatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-yl}-4-[2-(4-fluorophenoxy)ethyl]piperazine|2-Chloro-7-fluoro-11-[4-[2-(4-fluorophenoxy)ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin

CAS: 77795-73-4
Molecular Formula C26H25ClF2N2OS
Molecular Weight 486.13443 g/mol
LogP 6.0632
Topological Polar Surface Area 15.71 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 5
Exact Mass 486.13443
Monoisotopic Mass 486.13443
Heavy Atoms 33
Complexity 1119.7748

Chemical Identifiers

CAS Number 77795-73-4
SMILES C1CN(CCN1CCOC2=CC=C(C=C2)F)C3CC4=C(C=C(C=C4)F)SC5=C3C=C(C=C5)Cl

Product Overview

AC1MHZ13 (CAS 77795-73-4), with molecular formula C26H25ClF2N2OS and molecular weight 486.13443 g/mol. IUPAC: 1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-fluorophenoxy)ethyl]piperazine.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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