tert-butyl [6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
Chemical Structure Depiction of
tert-butyl [6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
tert-butyl [6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
Compound characteristics
| Compound ID: | P047-0331 |
| Compound Name: | tert-butyl [6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C18 H26 N4 O5 S |
| Smiles: | CC(C)(C)OC(CN1C(N2C=C(C=CC2=N1)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.183 |
| logD: | 2.183 |
| logSw: | -2.1347 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.381 |
| InChI Key: | NHRGMMQLSCDPIE-UHFFFAOYSA-N |