(1r,4r)-4-({2-[(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
(1r,4r)-4-({2-[(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
(1r,4r)-4-({2-[(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y041-2237 |
| Compound Name: | (1r,4r)-4-({2-[(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 463.96 |
| Molecular Formula: | C24 H30 Cl N O6 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(C)C(NC[C@H]1CC[C@@H](CC1)C(O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.654 |
| logD: | 2.0937 |
| logSw: | -4.5199 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.535 |
| InChI Key: | RERZBPOOKQSLED-FHERZECASA-N |