6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
Chemical Structure Depiction of
6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4296-0591 |
| Compound Name: | 6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide |
| Molecular Weight: | 603.1 |
| Molecular Formula: | C31 H27 Cl N4 O5 S |
| Smiles: | Cc1c(C(Nc2ccccc2)=O)c(c2ccc(cc2)OC)c(C#N)c(n1)SCC(Nc1cc(c(cc1OC)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9823 |
| logD: | 5.9508 |
| logSw: | -6.0987 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.423 |
| InChI Key: | BVJHCKONBWFTQY-UHFFFAOYSA-N |