2-(benzenesulfonyl)-3-(3,5-dimethylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-(3,5-dimethylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
2-(benzenesulfonyl)-3-(3,5-dimethylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0239 |
| Compound Name: | 2-(benzenesulfonyl)-3-(3,5-dimethylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enenitrile |
| Molecular Weight: | 448.61 |
| Molecular Formula: | C25 H24 N2 O2 S2 |
| Smiles: | Cc1cc(C)cc(c1)N/C(=C(/C#N)S(c1ccccc1)(=O)=O)SCc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 6.488 |
| logD: | 6.4878 |
| logSw: | -5.7206 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | NXCNWQFTKFAOGU-UHFFFAOYSA-N |