5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-N-phenylpyridine-3-carboxamide
Chemical Structure Depiction of
5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-N-phenylpyridine-3-carboxamide
5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-N-phenylpyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4296-0578 |
| Compound Name: | 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-N-phenylpyridine-3-carboxamide |
| Molecular Weight: | 552.65 |
| Molecular Formula: | C31 H28 N4 O4 S |
| Smiles: | Cc1ccccc1NC(CSc1c(C#N)c(c2ccc(c(c2)OC)OC)c(C(Nc2ccccc2)=O)c(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9057 |
| logD: | 4.9052 |
| logSw: | -4.779 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.879 |
| InChI Key: | PHBXCQHBDGMLOV-UHFFFAOYSA-N |