3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyanilino)prop-2-enamide
Chemical Structure Depiction of
3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyanilino)prop-2-enamide
3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0035 |
| Compound Name: | 3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyanilino)prop-2-enamide |
| Molecular Weight: | 552.09 |
| Molecular Formula: | C29 H30 Cl N3 O4 S |
| Smiles: | CCOc1ccccc1N/C(=C(/C#N)C(NCCc1ccc(c(c1)OC)OC)=O)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5929 |
| logD: | 5.4797 |
| logSw: | -5.8675 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.014 |
| InChI Key: | CJARVHCNPSNRBJ-UHFFFAOYSA-N |