2-cyano-3-(2-ethoxyanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-(2-ethoxyanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide
2-cyano-3-(2-ethoxyanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | K291-0122 |
| Compound Name: | 2-cyano-3-(2-ethoxyanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C24 H22 N4 O4 S2 |
| Smiles: | CCOc1ccccc1N/C(=C(/C#N)C(NCc1cccs1)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3208 |
| logD: | 5.2274 |
| logSw: | -5.2437 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.312 |
| InChI Key: | JACFSBFOZCMREI-UHFFFAOYSA-N |