2-cyano-3-(3,4-dimethylanilino)-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dimethylanilino)-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]prop-2-enamide
2-cyano-3-(3,4-dimethylanilino)-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | K291-0104 |
| Compound Name: | 2-cyano-3-(3,4-dimethylanilino)-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C26 H27 N3 O2 S |
| Smiles: | Cc1ccc(CSC(=C(/C#N)C(NCc2ccco2)=O)\Nc2ccc(C)c(C)c2)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.8763 |
| logD: | 6.8729 |
| logSw: | -5.4563 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.148 |
| InChI Key: | BRLJGQLCQKKMIS-UHFFFAOYSA-N |