(1r,4r)-4-({2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
(1r,4r)-4-({2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
(1r,4r)-4-({2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y042-9666 |
| Compound Name: | (1r,4r)-4-({2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 421.88 |
| Molecular Formula: | C21 H24 Cl N O6 |
| Smiles: | CC(C(NC[C@H]1CC[C@@H](CC1)C(O)=O)=O)Oc1cc2c(cc1[Cl])C(C)=CC(=O)O2 |
| Stereo: | ABSOLUTE |
| logP: | 3.2321 |
| logD: | 0.6718 |
| logSw: | -3.277 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.535 |
| InChI Key: | BFYMPCVNAMZPLB-HSBZDZAISA-N |