1-(4-tert-butylphenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-tert-butylphenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-tert-butylphenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8415-03968 |
| Compound Name: | 1-(4-tert-butylphenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C20 H22 N4 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(CSc1nnc(c2ccncc2)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8875 |
| logD: | 3.8861 |
| logSw: | -3.8273 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.726 |
| InChI Key: | TXRJHSFHJWHLAZ-UHFFFAOYSA-N |