4-({2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
4-({2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y041-2247 |
| Compound Name: | 4-({2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 407.85 |
| Molecular Formula: | C20 H22 Cl N O6 |
| Smiles: | CC1=CC(=O)Oc2cc(c(cc12)[Cl])OCC(NC[C@H]1CC[C@@H](CC1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5324 |
| logD: | -0.028 |
| logSw: | -3.1217 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.032 |
| InChI Key: | PRIXVYSKRRCDSF-UHFFFAOYSA-N |