ethyl [6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
Chemical Structure Depiction of
ethyl [6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
ethyl [6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
Compound characteristics
| Compound ID: | P047-0313 |
| Compound Name: | ethyl [6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C16 H22 N4 O5 S |
| Smiles: | CCOC(CN1C(N2C=C(C=CC2=N1)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2922 |
| logD: | 1.2922 |
| logSw: | -1.7767 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.272 |
| InChI Key: | SUNMEHLOYXXBNB-UHFFFAOYSA-N |