tert-butyl [3-oxo-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
Chemical Structure Depiction of
tert-butyl [3-oxo-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
tert-butyl [3-oxo-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
Compound characteristics
| Compound ID: | P047-0456 |
| Compound Name: | tert-butyl [3-oxo-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C16 H22 N4 O5 S2 |
| Smiles: | CC(C)(C)OC(CN1C(N2C=C(C=CC2=N1)S(N1CCSCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2826 |
| logD: | 1.2826 |
| logSw: | -1.6161 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.05 |
| InChI Key: | RNSOPVCGGLFVSG-UHFFFAOYSA-N |