2-[(2,4-dimethylphenyl)methyl]-8-(piperidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-[(2,4-dimethylphenyl)methyl]-8-(piperidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(2,4-dimethylphenyl)methyl]-8-(piperidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | M113-0166 |
| Compound Name: | 2-[(2,4-dimethylphenyl)methyl]-8-(piperidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C20 H24 N4 O3 S |
| Smiles: | Cc1ccc(CN2C(N3C=CC=C(C3=N2)S(N2CCCCC2)(=O)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2826 |
| logD: | 3.2826 |
| logSw: | -3.2749 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.012 |
| InChI Key: | VRLLGYXGTGVNAB-UHFFFAOYSA-N |