2-(benzenesulfonyl)-3-(3-chloro-4-methoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-(3-chloro-4-methoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
2-(benzenesulfonyl)-3-(3-chloro-4-methoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0325 |
| Compound Name: | 2-(benzenesulfonyl)-3-(3-chloro-4-methoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enenitrile |
| Molecular Weight: | 485.02 |
| Molecular Formula: | C24 H21 Cl N2 O3 S2 |
| Smiles: | Cc1ccccc1CSC(=C(/C#N)S(c1ccccc1)(=O)=O)\Nc1ccc(c(c1)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 6.3057 |
| logD: | 6.2384 |
| logSw: | -6.1546 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.117 |
| InChI Key: | WIUYGHQETHFMND-UHFFFAOYSA-N |