3-(4-chlorophenyl)-4-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]butanoic acid
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]butanoic acid
3-(4-chlorophenyl)-4-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]butanoic acid
Compound characteristics
| Compound ID: | Y040-8597 |
| Compound Name: | 3-(4-chlorophenyl)-4-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]butanoic acid |
| Molecular Weight: | 414.85 |
| Molecular Formula: | C20 H19 Cl N4 O4 |
| Smiles: | C(CN1C(c2ccccc2N=N1)=O)C(NCC(CC(O)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9386 |
| logD: | -0.8243 |
| logSw: | -3.1804 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.766 |
| InChI Key: | NWAPRBKODBKJPW-AWEZNQCLSA-N |