N-({[6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-1-benzopyran-7-yl]oxy}acetyl)-L-phenylalanine
Chemical Structure Depiction of
N-({[6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-1-benzopyran-7-yl]oxy}acetyl)-L-phenylalanine
N-({[6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-1-benzopyran-7-yl]oxy}acetyl)-L-phenylalanine
Compound characteristics
| Compound ID: | Y041-1347 |
| Compound Name: | N-({[6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-1-benzopyran-7-yl]oxy}acetyl)-L-phenylalanine |
| Molecular Weight: | 538.56 |
| Molecular Formula: | C30 H26 N4 O6 |
| Smiles: | CCc1cc2C(C(=COc2cc1OCC(N[C@@H](Cc1ccccc1)C(O)=O)=O)c1nncn1c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5619 |
| logD: | -1.0288 |
| logSw: | -3.1276 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.5 |
| InChI Key: | VRZNNJZWHSODRV-DEOSSOPVSA-N |