1-(4-nitrophenyl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-nitrophenyl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-nitrophenyl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G786-1496 |
| Compound Name: | 1-(4-nitrophenyl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C20 H14 N4 O3 S2 |
| Smiles: | C(C(c1ccc(cc1)[N+]([O-])=O)=O)Sc1nnc(c2cccs2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4392 |
| logD: | 4.4392 |
| logSw: | -4.5682 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.359 |
| InChI Key: | YKHOHHUPTQJFCO-UHFFFAOYSA-N |