3-anilino-2-cyano-3-{[(2-fluorophenyl)methyl]sulfanyl}-N-phenylprop-2-enamide
Chemical Structure Depiction of
3-anilino-2-cyano-3-{[(2-fluorophenyl)methyl]sulfanyl}-N-phenylprop-2-enamide
3-anilino-2-cyano-3-{[(2-fluorophenyl)methyl]sulfanyl}-N-phenylprop-2-enamide
Compound characteristics
| Compound ID: | K291-0059 |
| Compound Name: | 3-anilino-2-cyano-3-{[(2-fluorophenyl)methyl]sulfanyl}-N-phenylprop-2-enamide |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C23 H18 F N3 O S |
| Smiles: | C(c1ccccc1F)SC(=C(/C#N)C(Nc1ccccc1)=O)\Nc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2518 |
| logD: | 5.251 |
| logSw: | -5.3656 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.077 |
| InChI Key: | QAFPTWDSUKUMIR-UHFFFAOYSA-N |