N-(2H-1,3-benzodioxol-5-yl)-N-(cyanomethyl)-3-methyl[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N-(cyanomethyl)-3-methyl[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
N-(2H-1,3-benzodioxol-5-yl)-N-(cyanomethyl)-3-methyl[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
Compound characteristics
| Compound ID: | P048-1399 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N-(cyanomethyl)-3-methyl[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide |
| Molecular Weight: | 371.37 |
| Molecular Formula: | C16 H13 N5 O4 S |
| Smiles: | Cc1nnc2ccc(cn12)S(N(CC#N)c1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7994 |
| logD: | 0.7994 |
| logSw: | -2.2125 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.93 |
| InChI Key: | JQHRBLCIIONTPS-UHFFFAOYSA-N |