2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-3-(2-methylanilino)prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-3-(2-methylanilino)prop-2-enamide
2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-3-(2-methylanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0117 |
| Compound Name: | 2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-3-(2-methylanilino)prop-2-enamide |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C25 H25 N3 O2 S |
| Smiles: | Cc1ccc(CSC(=C(/C#N)C(NCc2ccco2)=O)\Nc2ccccc2C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.9431 |
| logD: | 5.9364 |
| logSw: | -5.405 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.451 |
| InChI Key: | ZZDXNMPFRBYBTB-UHFFFAOYSA-N |