3-(4-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole
Chemical Structure Depiction of
3-(4-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole
3-(4-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8020-5779 |
| Compound Name: | 3-(4-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole |
| Molecular Weight: | 356.34 |
| Molecular Formula: | C17 H16 N4 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)c1nc(c2ccc(cc2)[N+]([O-])=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.3662 |
| logD: | 3.2973 |
| logSw: | -3.6907 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.111 |
| InChI Key: | SCTSNBDRRFAZII-UHFFFAOYSA-N |