2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G786-1507 |
| Compound Name: | 2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 369.4 |
| Molecular Formula: | C17 H15 N5 O3 S |
| Smiles: | CCn1c(c2ccncc2)nnc1SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6332 |
| logD: | 2.6319 |
| logSw: | -2.7113 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.022 |
| InChI Key: | FPIQUMIJXISFTN-UHFFFAOYSA-N |