tert-butyl {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
tert-butyl {8-[4-(4-fluorophenyl)piperazine-1-sulfonyl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}acetate
tert-butyl {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: | M113-1642 |
| Compound Name: | tert-butyl {8-[4-(4-fluorophenyl)piperazine-1-sulfonyl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}acetate |
| Molecular Weight: | 491.54 |
| Molecular Formula: | C22 H26 F N5 O5 S |
| Smiles: | CC(C)(C)OC(CN1C(N2C=CC=C(C2=N1)S(N1CCN(CC1)c1ccc(cc1)F)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.591 |
| logD: | 2.591 |
| logSw: | -2.9055 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.812 |
| InChI Key: | FMDRWJLAHMZTMR-UHFFFAOYSA-N |