3-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-N-(3-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
3-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-N-(3-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
3-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-N-(3-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | L860-0158 |
| Compound Name: | 3-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-N-(3-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 465.96 |
| Molecular Formula: | C23 H20 Cl N5 O2 S |
| Smiles: | Cc1cccc(c1)NC(c1ccc2nnc(n2c1)SCC(Nc1ccc(C)c(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1101 |
| logD: | 5.1099 |
| logSw: | -5.5557 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.293 |
| InChI Key: | NOBBJKIAXJXOIF-UHFFFAOYSA-N |