2-cyano-3-{[(3-fluorophenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-{[(3-fluorophenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide
2-cyano-3-{[(3-fluorophenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0115 |
| Compound Name: | 2-cyano-3-{[(3-fluorophenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide |
| Molecular Weight: | 357.4 |
| Molecular Formula: | C18 H16 F N3 O2 S |
| Smiles: | COc1cccc(c1)N/C(=C(/C#N)C(N)=O)SCc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 3.2745 |
| logD: | 3.2554 |
| logSw: | -3.5623 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.589 |
| InChI Key: | FWIIHYCDMSPZLA-UHFFFAOYSA-N |