2-cyano-3-(3,4-dimethylanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dimethylanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
2-cyano-3-(3,4-dimethylanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0090 |
| Compound Name: | 2-cyano-3-(3,4-dimethylanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C19 H18 N4 O3 S |
| Smiles: | Cc1ccc(cc1C)N/C(=C(/C#N)C(N)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9355 |
| logD: | 3.9337 |
| logSw: | -4.077 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.427 |
| InChI Key: | LRLKUSOIOCHGLO-UHFFFAOYSA-N |