methyl 4,5-dimethoxy-2-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4,5-dimethoxy-2-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]benzoate
methyl 4,5-dimethoxy-2-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | Y040-8708 |
| Compound Name: | methyl 4,5-dimethoxy-2-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]benzoate |
| Molecular Weight: | 412.4 |
| Molecular Formula: | C20 H20 N4 O6 |
| Smiles: | COC(c1cc(c(cc1NC(CCN1C(c2ccccc2N=N1)=O)=O)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8196 |
| logD: | 1.4323 |
| logSw: | -2.6208 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.797 |
| InChI Key: | QMKOVISGQGGPEK-UHFFFAOYSA-N |