2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(4-ethoxyanilino)-N-[(furan-2-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(4-ethoxyanilino)-N-[(furan-2-yl)methyl]prop-2-enamide
2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(4-ethoxyanilino)-N-[(furan-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | K291-0116 |
| Compound Name: | 2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(4-ethoxyanilino)-N-[(furan-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C26 H27 N3 O3 S |
| Smiles: | CCOc1ccc(cc1)N/C(=C(/C#N)C(NCc1ccco1)=O)SCc1ccc(C)cc1C |
| Stereo: | ACHIRAL |
| logP: | 6.2578 |
| logD: | 6.2496 |
| logSw: | -5.3167 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.272 |
| InChI Key: | APNUGUDHYZDDPU-UHFFFAOYSA-N |