methyl [3-oxo-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
Chemical Structure Depiction of
methyl [3-oxo-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
methyl [3-oxo-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
Compound characteristics
| Compound ID: | P047-0437 |
| Compound Name: | methyl [3-oxo-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate |
| Molecular Weight: | 372.42 |
| Molecular Formula: | C13 H16 N4 O5 S2 |
| Smiles: | COC(CN1C(N2C=C(C=CC2=N1)S(N1CCSCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.143 |
| logD: | -0.143 |
| logSw: | -1.088 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.361 |
| InChI Key: | FFXMHYPJHPIBPD-UHFFFAOYSA-N |