2-cyano-3-{[(3-fluorophenyl)methyl]sulfanyl}-3-(2-methylanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-{[(3-fluorophenyl)methyl]sulfanyl}-3-(2-methylanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide
2-cyano-3-{[(3-fluorophenyl)methyl]sulfanyl}-3-(2-methylanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | K291-0146 |
| Compound Name: | 2-cyano-3-{[(3-fluorophenyl)methyl]sulfanyl}-3-(2-methylanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C23 H20 F N3 O S2 |
| Smiles: | Cc1ccccc1N/C(=C(/C#N)C(NCc1cccs1)=O)SCc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 5.201 |
| logD: | 5.1943 |
| logSw: | -5.0042 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.72 |
| InChI Key: | IXAWJETUBFSAMQ-UHFFFAOYSA-N |