8-(azepane-1-sulfonyl)-2-benzyl[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
8-(azepane-1-sulfonyl)-2-benzyl[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
8-(azepane-1-sulfonyl)-2-benzyl[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | M113-0548 |
| Compound Name: | 8-(azepane-1-sulfonyl)-2-benzyl[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C19 H22 N4 O3 S |
| Smiles: | C1CCCN(CC1)S(C1=CC=CN2C1=NN(Cc1ccccc1)C2=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7427 |
| logD: | 2.7427 |
| logSw: | -3.0339 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.343 |
| InChI Key: | GVTAWGFGTXVABC-UHFFFAOYSA-N |