2-(benzenesulfonyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-3-[4-(propan-2-yl)anilino]prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-3-[4-(propan-2-yl)anilino]prop-2-enenitrile
2-(benzenesulfonyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-3-[4-(propan-2-yl)anilino]prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0269 |
| Compound Name: | 2-(benzenesulfonyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-3-[4-(propan-2-yl)anilino]prop-2-enenitrile |
| Molecular Weight: | 462.63 |
| Molecular Formula: | C26 H26 N2 O2 S2 |
| Smiles: | CC(C)c1ccc(cc1)N/C(=C(/C#N)S(c1ccccc1)(=O)=O)SCc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.4789 |
| logD: | 6.4783 |
| logSw: | -5.8826 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | WLJDWHIEONFFBL-UHFFFAOYSA-N |