methyl {8-[4-(4-fluorophenyl)piperazine-1-sulfonyl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}acetate
Chemical Structure Depiction of
methyl {8-[4-(4-fluorophenyl)piperazine-1-sulfonyl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}acetate
methyl {8-[4-(4-fluorophenyl)piperazine-1-sulfonyl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}acetate
Compound characteristics
| Compound ID: | M113-1625 |
| Compound Name: | methyl {8-[4-(4-fluorophenyl)piperazine-1-sulfonyl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}acetate |
| Molecular Weight: | 449.46 |
| Molecular Formula: | C19 H20 F N5 O5 S |
| Smiles: | COC(CN1C(N2C=CC=C(C2=N1)S(N1CCN(CC1)c1ccc(cc1)F)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1654 |
| logD: | 1.1654 |
| logSw: | -2.3237 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.123 |
| InChI Key: | QONHEWVSYZWQSI-UHFFFAOYSA-N |