3-{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(2-methylanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(2-methylanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide
3-{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(2-methylanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | K291-0140 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(2-methylanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 454.01 |
| Molecular Formula: | C23 H20 Cl N3 O S2 |
| Smiles: | Cc1ccccc1N/C(=C(/C#N)C(NCc1cccs1)=O)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.396 |
| logD: | 5.3893 |
| logSw: | -5.9196 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.72 |
| InChI Key: | NHIPRXDYPTUYMC-UHFFFAOYSA-N |