3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyanilino)prop-2-enamide
Chemical Structure Depiction of
3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyanilino)prop-2-enamide
3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0047 |
| Compound Name: | 3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyanilino)prop-2-enamide |
| Molecular Weight: | 538.07 |
| Molecular Formula: | C28 H28 Cl N3 O4 S |
| Smiles: | COc1cccc(c1)N/C(=C(/C#N)C(NCCc1ccc(c(c1)OC)OC)=O)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2253 |
| logD: | 5.1814 |
| logSw: | -5.7209 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.046 |
| InChI Key: | NRJDFIBAFLEIAM-UHFFFAOYSA-N |