4-({2-[(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({2-[(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
4-({2-[(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y041-3108 |
| Compound Name: | 4-({2-[(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C25 H25 N O7 |
| Smiles: | C1C[C@H](CC[C@@H]1C(O)=O)CNC(COc1cc(c2C(C=C(c3ccccc3)Oc2c1)=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5607 |
| logD: | 1.0004 |
| logSw: | -3.7343 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.633 |
| InChI Key: | NKHPKUWUFDZUQS-UHFFFAOYSA-N |