2-cyano-3-(3,4-dimethylanilino)-N-[(furan-2-yl)methyl]-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dimethylanilino)-N-[(furan-2-yl)methyl]-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
2-cyano-3-(3,4-dimethylanilino)-N-[(furan-2-yl)methyl]-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0118 |
| Compound Name: | 2-cyano-3-(3,4-dimethylanilino)-N-[(furan-2-yl)methyl]-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C24 H22 N4 O4 S |
| Smiles: | Cc1ccc(cc1C)N/C(=C(/C#N)C(NCc1ccco1)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6498 |
| logD: | 5.6463 |
| logSw: | -5.3834 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.53 |
| InChI Key: | MNSRQQFFTRVHEB-UHFFFAOYSA-N |