4-(2-{[6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-1-benzopyran-7-yl]oxy}acetamido)butanoic acid
Chemical Structure Depiction of
4-(2-{[6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-1-benzopyran-7-yl]oxy}acetamido)butanoic acid
4-(2-{[6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-1-benzopyran-7-yl]oxy}acetamido)butanoic acid
Compound characteristics
| Compound ID: | Y041-1344 |
| Compound Name: | 4-(2-{[6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-1-benzopyran-7-yl]oxy}acetamido)butanoic acid |
| Molecular Weight: | 476.49 |
| Molecular Formula: | C25 H24 N4 O6 |
| Smiles: | CCc1cc2C(C(=COc2cc1OCC(NCCCC(O)=O)=O)c1nncn1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4422 |
| logD: | -1.3787 |
| logSw: | -2.5027 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.958 |
| InChI Key: | IMCZPOLGIQPOLN-UHFFFAOYSA-N |