N-benzyl-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-3-(3-methoxyanilino)prop-2-enamide
Chemical Structure Depiction of
N-benzyl-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-3-(3-methoxyanilino)prop-2-enamide
N-benzyl-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-3-(3-methoxyanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0031 |
| Compound Name: | N-benzyl-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-3-(3-methoxyanilino)prop-2-enamide |
| Molecular Weight: | 481.98 |
| Molecular Formula: | C25 H21 Cl F N3 O2 S |
| Smiles: | COc1cccc(c1)N/C(=C(/C#N)C(NCc1ccccc1)=O)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.8651 |
| logD: | 5.8479 |
| logSw: | -5.9645 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.943 |
| InChI Key: | CATBBYHSPBIVML-UHFFFAOYSA-N |