(2RS)-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}(phenyl)acetic acid
Chemical Structure Depiction of
(2RS)-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}(phenyl)acetic acid
(2RS)-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}(phenyl)acetic acid
Compound characteristics
| Compound ID: | Y040-8376 |
| Compound Name: | (2RS)-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}(phenyl)acetic acid |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C29 H27 N O6 |
| Smiles: | CC(C(N[C@H](C(O)=O)c1ccccc1)=O)Oc1ccc2C(C)=C(Cc3ccccc3)C(=O)Oc2c1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5081 |
| logD: | 0.6337 |
| logSw: | -4.4497 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.622 |
| InChI Key: | MELGNDPDEJSRDZ-OPEAARRCSA-N |