4-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]butanoic acid
Chemical Structure Depiction of
4-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]butanoic acid
4-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]butanoic acid
Compound characteristics
| Compound ID: | Y040-2748 |
| Compound Name: | 4-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]butanoic acid |
| Molecular Weight: | 304.3 |
| Molecular Formula: | C14 H16 N4 O4 |
| Smiles: | C[C@@H](C(NCCCC(O)=O)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.6295 |
| logD: | -2.1913 |
| logSw: | -2.1153 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.648 |
| InChI Key: | DWTFQCHJNBDRFC-VIFPVBQESA-N |