(1r,4r)-4-({2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
(1r,4r)-4-({2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
(1r,4r)-4-({2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y041-2260 |
| Compound Name: | (1r,4r)-4-({2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 491.58 |
| Molecular Formula: | C29 H33 N O6 |
| Smiles: | CC(C(NC[C@H]1CC[C@@H](CC1)C(O)=O)=O)Oc1cc(C)cc2c1C(C)=C(Cc1ccccc1)C(=O)O2 |
| Stereo: | ABSOLUTE |
| logP: | 4.9691 |
| logD: | 2.4088 |
| logSw: | -4.7059 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.778 |
| InChI Key: | DSUHCVFNFSHVCM-KPQWGBOZSA-N |