3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(3-methoxyanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(3-methoxyanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide
3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(3-methoxyanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | K291-0138 |
| Compound Name: | 3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(3-methoxyanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 470.01 |
| Molecular Formula: | C23 H20 Cl N3 O2 S2 |
| Smiles: | COc1cccc(c1)N/C(=C(/C#N)C(NCc1cccs1)=O)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.7497 |
| logD: | 5.7249 |
| logSw: | -5.9447 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.962 |
| InChI Key: | HPJWMJKYHIRCBN-UHFFFAOYSA-N |