N-(2H-1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
N-(2H-1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
Compound characteristics
| Compound ID: | P048-1358 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C21 H18 N4 O4 S |
| Smiles: | Cc1cccc(CN(c2ccc3c(c2)OCO3)S(c2ccc3nncn3c2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5351 |
| logD: | 3.5351 |
| logSw: | -3.55 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.853 |
| InChI Key: | MFKJBIUAXFJMDJ-UHFFFAOYSA-N |