tert-butyl {[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
tert-butyl {[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V005-2639 |
| Compound Name: | tert-butyl {[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccncc2)nnc1SCC(=O)OC(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.0333 |
| logD: | 4.0331 |
| logSw: | -4.0593 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.38 |
| InChI Key: | UCYLXYCJQNJAIJ-UHFFFAOYSA-N |