4-({2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
4-({2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | D715-1251 |
| Compound Name: | 4-({2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C23 H29 N O6 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OCC(NC[C@@H]1CC[C@H](CC1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9309 |
| logD: | 0.3706 |
| logSw: | -3.3256 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.945 |
| InChI Key: | AACYBGHKLHTHHO-UHFFFAOYSA-N |