3-anilino-2-(benzenesulfonyl)-3-{[(4-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
Chemical Structure Depiction of
3-anilino-2-(benzenesulfonyl)-3-{[(4-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
3-anilino-2-(benzenesulfonyl)-3-{[(4-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0038 |
| Compound Name: | 3-anilino-2-(benzenesulfonyl)-3-{[(4-methylphenyl)methyl]sulfanyl}prop-2-enenitrile |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C23 H20 N2 O2 S2 |
| Smiles: | Cc1ccc(CSC(=C(/C#N)S(c2ccccc2)(=O)=O)\Nc2ccccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.949 |
| logD: | 4.9485 |
| logSw: | -4.6121 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | NFKBZFANCXFWCB-UHFFFAOYSA-N |