2-cyano-3-(2-methylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-(2-methylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide
2-cyano-3-(2-methylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | K291-0143 |
| Compound Name: | 2-cyano-3-(2-methylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 433.59 |
| Molecular Formula: | C24 H23 N3 O S2 |
| Smiles: | Cc1ccccc1CSC(=C(/C#N)C(NCc1cccs1)=O)\Nc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 5.879 |
| logD: | 5.8723 |
| logSw: | -5.4958 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.72 |
| InChI Key: | LVQTUGBWHDODLP-UHFFFAOYSA-N |