3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyanilino)prop-2-enamide
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyanilino)prop-2-enamide
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0042 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyanilino)prop-2-enamide |
| Molecular Weight: | 570.08 |
| Molecular Formula: | C29 H29 Cl F N3 O4 S |
| Smiles: | CCOc1ccccc1N/C(=C(/C#N)C(NCCc1ccc(c(c1)OC)OC)=O)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.6833 |
| logD: | 5.6025 |
| logSw: | -5.8839 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.014 |
| InChI Key: | YQKBOBNXWDHUBG-UHFFFAOYSA-N |