5-cyano-4-(3,4-dimethoxyphenyl)-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-phenylpyridine-3-carboxamide
Chemical Structure Depiction of
5-cyano-4-(3,4-dimethoxyphenyl)-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-phenylpyridine-3-carboxamide
5-cyano-4-(3,4-dimethoxyphenyl)-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-phenylpyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4296-0641 |
| Compound Name: | 5-cyano-4-(3,4-dimethoxyphenyl)-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-phenylpyridine-3-carboxamide |
| Molecular Weight: | 566.68 |
| Molecular Formula: | C32 H30 N4 O4 S |
| Smiles: | Cc1ccc(cc1C)NC(CSc1c(C#N)c(c2ccc(c(c2)OC)OC)c(C(Nc2ccccc2)=O)c(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0983 |
| logD: | 6.0978 |
| logSw: | -5.5065 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.577 |
| InChI Key: | DCUHGQHAOJTPCA-UHFFFAOYSA-N |