2-(benzenesulfonyl)-3-(3-chloro-2-methylanilino)-3-{[(3-methoxyphenyl)methyl]sulfanyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-(3-chloro-2-methylanilino)-3-{[(3-methoxyphenyl)methyl]sulfanyl}prop-2-enenitrile
2-(benzenesulfonyl)-3-(3-chloro-2-methylanilino)-3-{[(3-methoxyphenyl)methyl]sulfanyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0287 |
| Compound Name: | 2-(benzenesulfonyl)-3-(3-chloro-2-methylanilino)-3-{[(3-methoxyphenyl)methyl]sulfanyl}prop-2-enenitrile |
| Molecular Weight: | 485.02 |
| Molecular Formula: | C24 H21 Cl N2 O3 S2 |
| Smiles: | Cc1c(cccc1[Cl])N/C(=C(/C#N)S(c1ccccc1)(=O)=O)SCc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.1171 |
| logD: | 6.061 |
| logSw: | -6.1443 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.333 |
| InChI Key: | KRVOENAAJCKZIA-UHFFFAOYSA-N |