methyl 2-(2-{[6-(benzylcarbamoyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[6-(benzylcarbamoyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[6-(benzylcarbamoyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L860-0387 |
| Compound Name: | methyl 2-(2-{[6-(benzylcarbamoyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C24 H21 N5 O4 S |
| Smiles: | COC(c1ccccc1NC(CSc1nnc2ccc(cn12)C(NCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7504 |
| logD: | 2.7374 |
| logSw: | -3.4259 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.091 |
| InChI Key: | BCKXPTPLBGKVIU-UHFFFAOYSA-N |