2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5-dimethoxybenzoic acid
Chemical Structure Depiction of
2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5-dimethoxybenzoic acid
2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5-dimethoxybenzoic acid
Compound characteristics
| Compound ID: | D045-0021 |
| Compound Name: | 2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5-dimethoxybenzoic acid |
| Molecular Weight: | 345.31 |
| Molecular Formula: | C16 H15 N3 O6 |
| Smiles: | COc1cc(C(O)=O)c(cc1OC)N1C(Nc2ccccc2N1O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8499 |
| logD: | -0.8188 |
| logSw: | -2.5751 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.983 |
| InChI Key: | LPNJVXNNBCVMOW-UHFFFAOYSA-N |