2-cyano-3-(3,4-dimethylanilino)-N-[(furan-2-yl)methyl]-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dimethylanilino)-N-[(furan-2-yl)methyl]-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
2-cyano-3-(3,4-dimethylanilino)-N-[(furan-2-yl)methyl]-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0102 |
| Compound Name: | 2-cyano-3-(3,4-dimethylanilino)-N-[(furan-2-yl)methyl]-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C25 H25 N3 O2 S |
| Smiles: | Cc1ccc(cc1C)N/C(=C(/C#N)C(NCc1ccco1)=O)SCc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 6.5878 |
| logD: | 6.5843 |
| logSw: | -5.5553 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.148 |
| InChI Key: | UFNRLKLKXWVGBU-UHFFFAOYSA-N |