2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide
Chemical Structure Depiction of
2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide
2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0050 |
| Compound Name: | 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide |
| Molecular Weight: | 531.67 |
| Molecular Formula: | C30 H33 N3 O4 S |
| Smiles: | Cc1ccc(CSC(=C(/C#N)C(NCCc2ccc(c(c2)OC)OC)=O)\Nc2cccc(c2)OC)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.6553 |
| logD: | 5.5927 |
| logSw: | -5.3191 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.046 |
| InChI Key: | VWDIYUBIYZPIDO-UHFFFAOYSA-N |