methyl 4-(2-{[6-(benzylcarbamoyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[6-(benzylcarbamoyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[6-(benzylcarbamoyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
Compound ID: | L860-0379 |
Compound Name: | methyl 4-(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(c1ccc(cc1)NC(CSc1nnc2ccc(cn12)C(NCc1ccccc1)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.1166 |
logD: | 3.1165 |
logSw: | -3.4675 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 90.788 |
InChI Key: | LIDYWDHRXQTLKN-UHFFFAOYSA-N |