4-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}butanoic acid
Chemical Structure Depiction of
4-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}butanoic acid
4-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}butanoic acid
Compound characteristics
| Compound ID: | D715-0522 |
| Compound Name: | 4-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}butanoic acid |
| Molecular Weight: | 437.49 |
| Molecular Formula: | C25 H27 N O6 |
| Smiles: | CC(C(NCCCC(O)=O)=O)Oc1ccc2C(C)=C(Cc3ccccc3)C(=O)Oc2c1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3761 |
| logD: | 0.5552 |
| logSw: | -3.5144 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.359 |
| InChI Key: | GUDLKGHSGHRLGS-KRWDZBQOSA-N |