4-({2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
4-({2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y041-2250 |
| Compound Name: | 4-({2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 429.51 |
| Molecular Formula: | C24 H31 N O6 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OCC(NC[C@H]1CC[C@@H](CC1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5134 |
| logD: | 0.9531 |
| logSw: | -3.6479 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.716 |
| InChI Key: | KQUTXXWSXHOINZ-UHFFFAOYSA-N |