2-[(2,5-dimethylphenyl)methyl]-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-[(2,5-dimethylphenyl)methyl]-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(2,5-dimethylphenyl)methyl]-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | M113-0099 |
| Compound Name: | 2-[(2,5-dimethylphenyl)methyl]-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C19 H22 N4 O3 S |
| Smiles: | Cc1ccc(C)c(CN2C(N3C=CC=C(C3=N2)S(N2CCCC2)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0909 |
| logD: | 3.0909 |
| logSw: | -3.0539 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.378 |
| InChI Key: | LXLOAZPFOFABNR-UHFFFAOYSA-N |