N-benzyl-3-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
N-benzyl-3-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
N-benzyl-3-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | L860-0403 |
| Compound Name: | N-benzyl-3-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 431.52 |
| Molecular Formula: | C23 H21 N5 O2 S |
| Smiles: | Cc1ccc(cc1)NC(CSc1nnc2ccc(cn12)C(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4492 |
| logD: | 3.4492 |
| logSw: | -3.5567 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.615 |
| InChI Key: | HFNDJYGBBZKVRH-UHFFFAOYSA-N |