methyl 4,5-dimethoxy-2-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamido]benzoate
Chemical Structure Depiction of
methyl 4,5-dimethoxy-2-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamido]benzoate
methyl 4,5-dimethoxy-2-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | Y040-8738 |
| Compound Name: | methyl 4,5-dimethoxy-2-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamido]benzoate |
| Molecular Weight: | 426.43 |
| Molecular Formula: | C21 H22 N4 O6 |
| Smiles: | COC(c1cc(c(cc1NC(CCCN1C(c2ccccc2N=N1)=O)=O)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5788 |
| logD: | 1.2328 |
| logSw: | -2.5079 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.797 |
| InChI Key: | GHVFOVCZLWALEJ-UHFFFAOYSA-N |