6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
Chemical Structure Depiction of
6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4296-0382 |
| Compound Name: | 6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide |
| Molecular Weight: | 633.12 |
| Molecular Formula: | C32 H29 Cl N4 O6 S |
| Smiles: | Cc1c(C(Nc2ccccc2)=O)c(c2ccc(c(c2)OC)OC)c(C#N)c(n1)SCC(Nc1cc(c(cc1OC)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3996 |
| logD: | 5.3681 |
| logSw: | -6.0608 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.14 |
| InChI Key: | KHQSOHDGCKXMLK-UHFFFAOYSA-N |