methyl (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoate
Chemical Structure Depiction of
methyl (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoate
methyl (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoate
Compound characteristics
| Compound ID: | Y041-4880 |
| Compound Name: | methyl (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoate |
| Molecular Weight: | 233.22 |
| Molecular Formula: | C11 H11 N3 O3 |
| Smiles: | C[C@@H](C(=O)OC)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8749 |
| logD: | 1.8749 |
| logSw: | -2.347 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.911 |
| InChI Key: | SOIJMJMOFDJXPU-ZETCQYMHSA-N |