3-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4-methoxybenzoic acid
Chemical Structure Depiction of
3-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4-methoxybenzoic acid
3-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4-methoxybenzoic acid
Compound characteristics
| Compound ID: | D045-0016 |
| Compound Name: | 3-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4-methoxybenzoic acid |
| Molecular Weight: | 315.28 |
| Molecular Formula: | C15 H13 N3 O5 |
| Smiles: | COc1ccc(cc1N1C(Nc2ccccc2N1O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0106 |
| logD: | 0.49 |
| logSw: | -2.6556 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.353 |
| InChI Key: | NSEOSOQAXYQHOQ-UHFFFAOYSA-N |