tert-butyl {[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
tert-butyl {[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V010-1468 |
| Compound Name: | tert-butyl {[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 368.46 |
| Molecular Formula: | C19 H20 N4 O2 S |
| Smiles: | CC(C)(C)OC(CSc1nnc(c2cccnc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3212 |
| logD: | 3.317 |
| logSw: | -3.466 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.77 |
| InChI Key: | BJWFTDFRMWPBPY-UHFFFAOYSA-N |