N-(cyanomethyl)-N-(3,5-dimethylphenyl)-3-methyl[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
Chemical Structure Depiction of
N-(cyanomethyl)-N-(3,5-dimethylphenyl)-3-methyl[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
N-(cyanomethyl)-N-(3,5-dimethylphenyl)-3-methyl[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
Compound characteristics
| Compound ID: | M875-3117 |
| Compound Name: | N-(cyanomethyl)-N-(3,5-dimethylphenyl)-3-methyl[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide |
| Molecular Weight: | 355.42 |
| Molecular Formula: | C17 H17 N5 O2 S |
| Smiles: | Cc1cc(C)cc(c1)N(CC#N)S(c1cccn2c(C)nnc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4796 |
| logD: | 1.4796 |
| logSw: | -2.1993 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.468 |
| InChI Key: | KLFHWHSMEKPQHC-UHFFFAOYSA-N |