3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-N-[(4-methylphenyl)methyl][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-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-N-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | L860-0593 |
| Compound Name: | 3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-N-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C24 H21 N5 O4 S |
| Smiles: | Cc1ccc(CNC(c2ccc3nnc(n3c2)SCC(Nc2ccc3c(c2)OCO3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2823 |
| logD: | 3.2823 |
| logSw: | -3.3394 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.73 |
| InChI Key: | VYBZTMBNZCSWNV-UHFFFAOYSA-N |