methyl 2-{8-[4-(4-fluorophenyl)piperazine-1-sulfonyl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}propanoate
Chemical Structure Depiction of
methyl 2-{8-[4-(4-fluorophenyl)piperazine-1-sulfonyl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}propanoate
methyl 2-{8-[4-(4-fluorophenyl)piperazine-1-sulfonyl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}propanoate
Compound characteristics
| Compound ID: | M113-1628 |
| Compound Name: | methyl 2-{8-[4-(4-fluorophenyl)piperazine-1-sulfonyl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}propanoate |
| Molecular Weight: | 463.49 |
| Molecular Formula: | C20 H22 F N5 O5 S |
| Smiles: | CC(C(=O)OC)N1C(N2C=CC=C(C2=N1)S(N1CCN(CC1)c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8355 |
| logD: | 1.8355 |
| logSw: | -2.294 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.251 |
| InChI Key: | GUEOKJVSTIIKPN-AWEZNQCLSA-N |