2-(benzenesulfonyl)-3-(3-chloro-4-methylanilino)-3-{[(3-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-(3-chloro-4-methylanilino)-3-{[(3-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
2-(benzenesulfonyl)-3-(3-chloro-4-methylanilino)-3-{[(3-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0174 |
| Compound Name: | 2-(benzenesulfonyl)-3-(3-chloro-4-methylanilino)-3-{[(3-methylphenyl)methyl]sulfanyl}prop-2-enenitrile |
| Molecular Weight: | 469.02 |
| Molecular Formula: | C24 H21 Cl N2 O2 S2 |
| Smiles: | Cc1cccc(CSC(=C(/C#N)S(c2ccccc2)(=O)=O)\Nc2ccc(C)c(c2)[Cl])c1 |
| Stereo: | ACHIRAL |
| logP: | 7.0317 |
| logD: | 6.9883 |
| logSw: | -6.4901 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | VELRSEJQKFEFTJ-UHFFFAOYSA-N |