propan-2-yl [6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
Chemical Structure Depiction of
propan-2-yl [6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
propan-2-yl [6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
Compound characteristics
| Compound ID: | P047-0314 |
| Compound Name: | propan-2-yl [6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C17 H24 N4 O5 S |
| Smiles: | CC(C)OC(CN1C(N2C=C(C=CC2=N1)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5017 |
| logD: | 1.5016 |
| logSw: | -1.8913 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.951 |
| InChI Key: | CZPCXTXLTJCWIG-UHFFFAOYSA-N |