6-{[(5,6-diphenyl-1,2,4-triazin-3-yl)imino]methyl}-2,3-dimethoxybenzoic acid
Chemical Structure Depiction of
6-{[(5,6-diphenyl-1,2,4-triazin-3-yl)imino]methyl}-2,3-dimethoxybenzoic acid
6-{[(5,6-diphenyl-1,2,4-triazin-3-yl)imino]methyl}-2,3-dimethoxybenzoic acid
Compound characteristics
| Compound ID: | 8011-2798 |
| Compound Name: | 6-{[(5,6-diphenyl-1,2,4-triazin-3-yl)imino]methyl}-2,3-dimethoxybenzoic acid |
| Molecular Weight: | 440.46 |
| Molecular Formula: | C25 H20 N4 O4 |
| Smiles: | COc1ccc(/C=N/c2nc(c3ccccc3)c(c3ccccc3)nn2)c(C(O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 3.9753 |
| logD: | 0.1693 |
| logSw: | -4.3722 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.952 |
| InChI Key: | STQADSLJLWERKV-UHFFFAOYSA-N |