(E)-but-2-enedioic acid,1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-fluorophenyl)sulfanylethyl]piperazine
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![(E)-but-2-enedioic acid,1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-fluorophenyl)sulfanylethyl]piperazine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c7d01d3ab589410982b756df114f9771.png "(E)-but-2-enedioic acid,1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-fluorophenyl)sulfanylethyl]piperazine")
(E)-but-2-enedioic acid,1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-fluorophenyl)sulfanylethyl]piperazine
structure -
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CAS No:
77603-01-1
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Formula:
C34H34ClFN2O8S2
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Chemical Name:
(E)-but-2-enedioic acid,1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-fluorophenyl)sulfanylethyl]piperazine
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Synonyms:
VUFB-12,334;
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CAS No:
(E)-but-2-enedioic acid,1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-fluorophenyl)sulfanylethyl]piperazine Basic Attributes
717.22400
716.1429143
Computed Properties
Molecular Weight:717.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:9
Exact Mass:716.1429143
Monoisotopic Mass:716.1429143
Topological Polar Surface Area:206
Heavy Atom Count:48
Complexity:701
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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