(1r,4r)-4-({2-[(6-ethyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
(1r,4r)-4-({2-[(6-ethyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
(1r,4r)-4-({2-[(6-ethyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y041-2282 |
| Compound Name: | (1r,4r)-4-({2-[(6-ethyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C28 H31 N O6 |
| Smiles: | CCc1cc2C(=CC(=O)Oc2cc1OC(C)C(NC[C@H]1CC[C@@H](CC1)C(O)=O)=O)c1ccccc1 |
| Stereo: | ABSOLUTE |
| logP: | 4.3334 |
| logD: | 1.7731 |
| logSw: | -4.2553 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.263 |
| InChI Key: | BLKPFCUMGVQKSL-XPQZIERPSA-N |