propan-2-yl ({8-[4-(4-fluorophenyl)piperazine-1-sulfonyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
propan-2-yl ({8-[4-(4-fluorophenyl)piperazine-1-sulfonyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}sulfanyl)acetate
propan-2-yl ({8-[4-(4-fluorophenyl)piperazine-1-sulfonyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | M114-1439 |
| Compound Name: | propan-2-yl ({8-[4-(4-fluorophenyl)piperazine-1-sulfonyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}sulfanyl)acetate |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C21 H24 F N5 O4 S2 |
| Smiles: | CC(C)OC(CSc1nnc2c(cccn12)S(N1CCN(CC1)c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4133 |
| logD: | 2.4133 |
| logSw: | -2.4834 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.786 |
| InChI Key: | ANPFXTFPVQFCJI-UHFFFAOYSA-N |