2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(4-ethoxyanilino)prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(4-ethoxyanilino)prop-2-enamide
2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(4-ethoxyanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0131 |
| Compound Name: | 2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(4-ethoxyanilino)prop-2-enamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | CCOc1ccc(cc1)N/C(=C(/C#N)C(N)=O)SCc1ccc(C)cc1C |
| Stereo: | ACHIRAL |
| logP: | 4.5436 |
| logD: | 4.5393 |
| logSw: | -4.4429 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.169 |
| InChI Key: | PPDCDVZXWBCJMI-UHFFFAOYSA-N |