3-anilino-2-(benzenesulfonyl)-3-{[(4-chlorophenyl)methyl]sulfanyl}prop-2-enenitrile
Chemical Structure Depiction of
3-anilino-2-(benzenesulfonyl)-3-{[(4-chlorophenyl)methyl]sulfanyl}prop-2-enenitrile
3-anilino-2-(benzenesulfonyl)-3-{[(4-chlorophenyl)methyl]sulfanyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0045 |
| Compound Name: | 3-anilino-2-(benzenesulfonyl)-3-{[(4-chlorophenyl)methyl]sulfanyl}prop-2-enenitrile |
| Molecular Weight: | 440.97 |
| Molecular Formula: | C22 H17 Cl N2 O2 S2 |
| Smiles: | C(c1ccc(cc1)[Cl])SC(=C(/C#N)S(c1ccccc1)(=O)=O)\Nc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1203 |
| logD: | 5.1199 |
| logSw: | -5.6812 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | UFYGGZHYUGZJDT-UHFFFAOYSA-N |