N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-aspartic acid
Chemical Structure Depiction of
N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-aspartic acid
N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-aspartic acid
Compound characteristics
| Compound ID: | Y044-5672 |
| Compound Name: | N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-aspartic acid |
| Molecular Weight: | 334.29 |
| Molecular Formula: | C14 H14 N4 O6 |
| Smiles: | C(CN1C(c2ccccc2N=N1)=O)C(N[C@@H](CC(O)=O)C(O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -1.3087 |
| logD: | -5.3686 |
| logSw: | -2.0988 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.076 |
| InChI Key: | WGWIKBNIWMCCCB-JTQLQIEISA-N |