(1r,4r)-4-({2-[(2-oxo-3-phenyl-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
(1r,4r)-4-({2-[(2-oxo-3-phenyl-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
(1r,4r)-4-({2-[(2-oxo-3-phenyl-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y041-2302 |
| Compound Name: | (1r,4r)-4-({2-[(2-oxo-3-phenyl-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 449.5 |
| Molecular Formula: | C26 H27 N O6 |
| Smiles: | CC(C(NC[C@H]1CC[C@@H](CC1)C(O)=O)=O)Oc1ccc2C=C(C(=O)Oc2c1)c1ccccc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.3516 |
| logD: | 0.7913 |
| logSw: | -3.7044 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.691 |
| InChI Key: | ITGDFJSZWWNVPR-MUYFXNHWSA-N |