2-(benzenesulfonyl)-3-{[(3-chlorophenyl)methyl]sulfanyl}-3-(2-methylanilino)prop-2-enenitrile

Chemical Structure Depiction of
2-(benzenesulfonyl)-3-{[(3-chlorophenyl)methyl]sulfanyl}-3-(2-methylanilino)prop-2-enenitrile
Available: 36 mg
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mg
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Compound characteristics

Compound ID: C644-0095
Compound Name: 2-(benzenesulfonyl)-3-{[(3-chlorophenyl)methyl]sulfanyl}-3-(2-methylanilino)prop-2-enenitrile
Molecular Weight: 455
Molecular Formula: C23 H19 Cl N2 O2 S2
Smiles: Cc1ccccc1N/C(=C(/C#N)S(c1ccccc1)(=O)=O)SCc1cccc(c1)[Cl]
Stereo: ACHIRAL
logP: 5.7046
logD: 5.7038
logSw: -5.8834
Hydrogen bond acceptors count: 6
Hydrogen bond donors count: 1
Polar surface area: 55.789
InChI Key: YVVHAKBRSMQWOA-UHFFFAOYSA-N
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