2-[(3-methylphenyl)methyl]-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-[(3-methylphenyl)methyl]-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(3-methylphenyl)methyl]-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | M113-0096 |
| Compound Name: | 2-[(3-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: | Cc1cccc(CN2C(N3C=CC=C(C3=N2)S(N2CCCC2)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.5628 |
| logD: | 2.5628 |
| logSw: | -2.6902 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.378 |
| InChI Key: | PCXCTNVEXUQYII-UHFFFAOYSA-N |