2-[(2-methylphenyl)methyl]-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-[(2-methylphenyl)methyl]-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(2-methylphenyl)methyl]-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | M113-0095 |
| Compound Name: | 2-[(2-methylphenyl)methyl]-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C18 H20 N4 O3 S |
| Smiles: | Cc1ccccc1CN1C(N2C=CC=C(C2=N1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6635 |
| logD: | 2.6635 |
| logSw: | -2.8028 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.378 |
| InChI Key: | IFPUNLDIDMSAED-UHFFFAOYSA-N |