1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl][1,2,4]triazolo[4,3-a]quinoline
Chemical Structure Depiction of
1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl][1,2,4]triazolo[4,3-a]quinoline
1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl][1,2,4]triazolo[4,3-a]quinoline
Compound characteristics
| Compound ID: | 8011-6129 |
| Compound Name: | 1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl][1,2,4]triazolo[4,3-a]quinoline |
| Molecular Weight: | 457.4 |
| Molecular Formula: | C23 H15 N5 O6 |
| Smiles: | COc1cc(ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c1nnc2ccc3ccccc3n12 |
| Stereo: | ACHIRAL |
| logP: | 4.8061 |
| logD: | 4.806 |
| logSw: | -5.3215 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.514 |
| InChI Key: | IAJDFDBOFHBUDL-UHFFFAOYSA-N |