2-(benzenesulfonyl)-3-(2,6-dimethylanilino)-3-{[(4-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-(2,6-dimethylanilino)-3-{[(4-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
2-(benzenesulfonyl)-3-(2,6-dimethylanilino)-3-{[(4-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0022 |
| Compound Name: | 2-(benzenesulfonyl)-3-(2,6-dimethylanilino)-3-{[(4-methylphenyl)methyl]sulfanyl}prop-2-enenitrile |
| Molecular Weight: | 448.61 |
| Molecular Formula: | C25 H24 N2 O2 S2 |
| Smiles: | Cc1ccc(CSC(=C(/C#N)S(c2ccccc2)(=O)=O)\Nc2c(C)cccc2C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.403 |
| logD: | 5.4017 |
| logSw: | -5.4976 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.091 |
| InChI Key: | QASHFBSOYIGQSI-UHFFFAOYSA-N |