(1r,4r)-4-({2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
(1r,4r)-4-({2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
(1r,4r)-4-({2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | D715-1294 |
| Compound Name: | (1r,4r)-4-({2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 443.54 |
| Molecular Formula: | C25 H33 N O6 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OC(C)C(NC[C@H]1CC[C@@H](CC1)C(O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.216 |
| logD: | 1.6556 |
| logSw: | -4.2416 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.219 |
| InChI Key: | VAXQAZBOHNLPNM-AOCRQIFASA-N |