2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
Chemical Structure Depiction of
2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
Compound characteristics
| Compound ID: | D276-0329 |
| Compound Name: | 2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide |
| Molecular Weight: | 439.96 |
| Molecular Formula: | C23 H22 Cl N3 O2 S |
| Smiles: | Cc1cccc(c1)NC(c1c(C)cc(C)nc1SCC(Nc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4996 |
| logD: | 5.4991 |
| logSw: | -6.0803 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.761 |
| InChI Key: | YDKQQASHUGSOCV-UHFFFAOYSA-N |