2-(benzenesulfonyl)-3-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-methylanilino)prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-methylanilino)prop-2-enenitrile
2-(benzenesulfonyl)-3-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-methylanilino)prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0189 |
| Compound Name: | 2-(benzenesulfonyl)-3-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-methylanilino)prop-2-enenitrile |
| Molecular Weight: | 455 |
| Molecular Formula: | C23 H19 Cl N2 O2 S2 |
| Smiles: | Cc1cccc(c1)N/C(=C(/C#N)S(c1ccccc1)(=O)=O)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.672 |
| logD: | 5.6717 |
| logSw: | -5.9421 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | QVBVWQHSKNUVQU-UHFFFAOYSA-N |