2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide
2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0096 |
| Compound Name: | 2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C20 H21 N3 O2 S |
| Smiles: | Cc1ccc(CSC(=C(/C#N)C(N)=O)\Nc2cccc(c2)OC)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.241 |
| logD: | 4.222 |
| logSw: | -4.3811 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.589 |
| InChI Key: | ISLAIFMPYGWQEX-UHFFFAOYSA-N |