methyl 4,5-dimethoxy-2-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4,5-dimethoxy-2-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]benzoate
methyl 4,5-dimethoxy-2-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | Y040-2932 |
| Compound Name: | methyl 4,5-dimethoxy-2-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]benzoate |
| Molecular Weight: | 412.4 |
| Molecular Formula: | C20 H20 N4 O6 |
| Smiles: | C[C@@H](C(Nc1cc(c(cc1C(=O)OC)OC)OC)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6844 |
| logD: | 2.4999 |
| logSw: | -3.4422 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.565 |
| InChI Key: | OZWXGIFTHRFEHN-NSHDSACASA-N |