8-(azepane-1-sulfonyl)-2-(2-phenylethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
8-(azepane-1-sulfonyl)-2-(2-phenylethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
8-(azepane-1-sulfonyl)-2-(2-phenylethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | M113-0534 |
| Compound Name: | 8-(azepane-1-sulfonyl)-2-(2-phenylethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C20 H24 N4 O3 S |
| Smiles: | C1CCCN(CC1)S(C1=CC=CN2C1=NN(CCc1ccccc1)C2=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9608 |
| logD: | 2.9608 |
| logSw: | -3.332 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.322 |
| InChI Key: | GAHWBYRHQXUWSW-UHFFFAOYSA-N |