3-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-N-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
3-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-N-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
3-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-N-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | L860-0580 |
| Compound Name: | 3-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-N-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 465.96 |
| Molecular Formula: | C23 H20 Cl N5 O2 S |
| Smiles: | Cc1ccc(CNC(c2ccc3nnc(n3c2)SCC(Nc2cccc(c2)[Cl])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2028 |
| logD: | 4.2026 |
| logSw: | -4.4057 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.615 |
| InChI Key: | MKHKWIAYBRKJOX-UHFFFAOYSA-N |