2-cyano-3-(2-ethoxyanilino)-3-{[(3-fluorophenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-(2-ethoxyanilino)-3-{[(3-fluorophenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide
2-cyano-3-(2-ethoxyanilino)-3-{[(3-fluorophenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | K291-0125 |
| Compound Name: | 2-cyano-3-(2-ethoxyanilino)-3-{[(3-fluorophenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 467.58 |
| Molecular Formula: | C24 H22 F N3 O2 S2 |
| Smiles: | CCOc1ccccc1N/C(=C(/C#N)C(NCc1cccs1)=O)SCc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 5.5807 |
| logD: | 5.4873 |
| logSw: | -5.3626 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.93 |
| InChI Key: | KXGNFHXFNQDISE-UHFFFAOYSA-N |