2-cyano-3-(2-ethoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-(2-ethoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide
2-cyano-3-(2-ethoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | K291-0119 |
| Compound Name: | 2-cyano-3-(2-ethoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 463.62 |
| Molecular Formula: | C25 H25 N3 O2 S2 |
| Smiles: | CCOc1ccccc1N/C(=C(/C#N)C(NCc1cccs1)=O)SCc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 6.2587 |
| logD: | 6.1654 |
| logSw: | -5.5062 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.93 |
| InChI Key: | DGBALNOYNRDJIC-UHFFFAOYSA-N |