4-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]butanoic acid
Chemical Structure Depiction of
4-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]butanoic acid
4-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]butanoic acid
Compound characteristics
| Compound ID: | Y042-2755 |
| Compound Name: | 4-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]butanoic acid |
| Molecular Weight: | 304.3 |
| Molecular Formula: | C14 H16 N4 O4 |
| Smiles: | C(CC(O)=O)CNC(CCN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1642 |
| logD: | -2.9851 |
| logSw: | -2.1571 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.879 |
| InChI Key: | PLNOYWRLIFDSRN-UHFFFAOYSA-N |