3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-N-benzyl[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-N-benzyl[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-N-benzyl[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | L860-0383 |
| Compound Name: | 3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-N-benzyl[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 461.5 |
| Molecular Formula: | C23 H19 N5 O4 S |
| Smiles: | C(c1ccccc1)NC(c1ccc2nnc(n2c1)SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8589 |
| logD: | 2.8589 |
| logSw: | -3.357 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.73 |
| InChI Key: | XROPRRBRIMSBBO-UHFFFAOYSA-N |