1-(4-nitrophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-nitrophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-nitrophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G786-1494 |
| Compound Name: | 1-(4-nitrophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 417.44 |
| Molecular Formula: | C21 H15 N5 O3 S |
| Smiles: | C(C(c1ccc(cc1)[N+]([O-])=O)=O)Sc1nnc(c2ccncc2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4698 |
| logD: | 3.4698 |
| logSw: | -3.793 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.769 |
| InChI Key: | JZEHXBQNSMVHOR-UHFFFAOYSA-N |