tert-butyl {[4-(2-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[4-(2-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
tert-butyl {[4-(2-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V011-6299 |
| Compound Name: | tert-butyl {[4-(2-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C19 H19 F N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)OC(CSc1nnc(c2cccnc2)n1c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3962 |
| logD: | 3.3921 |
| logSw: | -3.6535 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.469 |
| InChI Key: | FBJIPIFXWSOUAA-UHFFFAOYSA-N |