(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoic acid
Chemical Structure Depiction of
(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoic acid
(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoic acid
Compound characteristics
| Compound ID: | Y040-5752 |
| Compound Name: | (2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoic acid |
| Molecular Weight: | 247.25 |
| Molecular Formula: | C12 H13 N3 O3 |
| Smiles: | CC(C)[C@@H](C(O)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1668 |
| logD: | -1.4722 |
| logSw: | -2.5198 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.766 |
| InChI Key: | CIDCLWSSRNYIAH-JTQLQIEISA-N |