methyl 4-{2-[(6-{[(4-methylphenyl)methyl]carbamoyl}[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-{[(4-methylphenyl)methyl]carbamoyl}[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-{[(4-methylphenyl)methyl]carbamoyl}[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | L860-0590 |
| Compound Name: | methyl 4-{2-[(6-{[(4-methylphenyl)methyl]carbamoyl}[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C25 H23 N5 O4 S |
| Smiles: | Cc1ccc(CNC(c2ccc3nnc(n3c2)SCC(Nc2ccc(cc2)C(=O)OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5399 |
| logD: | 3.5399 |
| logSw: | -3.5571 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.788 |
| InChI Key: | AJFICDSLZAIBBT-UHFFFAOYSA-N |