2-[(2,5-dimethylphenyl)methyl]-6-(4-methylpiperidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-[(2,5-dimethylphenyl)methyl]-6-(4-methylpiperidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(2,5-dimethylphenyl)methyl]-6-(4-methylpiperidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | P047-0194 |
| Compound Name: | 2-[(2,5-dimethylphenyl)methyl]-6-(4-methylpiperidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CC1CCN(CC1)S(C1C=CC2=NN(Cc3cc(C)ccc3C)C(N2C=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8637 |
| logD: | 3.8635 |
| logSw: | -3.7134 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.51 |
| InChI Key: | COPYIDSMNLLZSE-UHFFFAOYSA-N |