(E)-but-2-enedioic acid,1-(3-chloro-2-fluorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine

Modify Date: 2025-09-27 09:10:35

(E)-but-2-enedioic acid,1-(3-chloro-2-fluorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine Structure
(E)-but-2-enedioic acid,1-(3-chloro-2-fluorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine structure
Common Name (E)-but-2-enedioic acid,1-(3-chloro-2-fluorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
CAS Number 60811-07-6 Molecular Weight 476.94800
Density N/A Boiling Point N/A
Molecular Formula C23H22ClFN2O4S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name (E)-but-2-enedioic acid,1-(3-chloro-2-fluorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine

 Chemical & Physical Properties

Molecular Formula C23H22ClFN2O4S
Molecular Weight 476.94800
Exact Mass 476.09700
PSA 106.38000
LogP 4.27680
InChIKey FEAUXNFCJVPVAW-WLHGVMLRSA-N
SMILES CN1CCN(C2=Cc3ccccc3Sc3cc(F)c(Cl)cc32)CC1.O=C(O)C=CC(=O)O
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