N-benzyl-2-cyano-3-{[(3-fluorophenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide
Chemical Structure Depiction of
N-benzyl-2-cyano-3-{[(3-fluorophenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide
N-benzyl-2-cyano-3-{[(3-fluorophenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0029 |
| Compound Name: | N-benzyl-2-cyano-3-{[(3-fluorophenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C25 H22 F N3 O2 S |
| Smiles: | COc1cccc(c1)N/C(=C(/C#N)C(NCc1ccccc1)=O)SCc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 5.2381 |
| logD: | 5.2024 |
| logSw: | -5.0684 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.943 |
| InChI Key: | JTPLUIIEXFVSDQ-UHFFFAOYSA-N |