N-benzyl-3-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
N-benzyl-3-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
N-benzyl-3-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
Compound ID: | L860-0368 |
Compound Name: | N-benzyl-3-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
Molecular Weight: | 481.96 |
Molecular Formula: | C23 H20 Cl N5 O3 S |
Smiles: | COc1ccc(cc1[Cl])NC(CSc1nnc2ccc(cn12)C(NCc1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5364 |
logD: | 3.5362 |
logSw: | -3.9988 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.245 |
InChI Key: | LEOKBUGIESOIJX-UHFFFAOYSA-N |