4-({2-[(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({2-[(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
4-({2-[(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | D715-1262 |
| Compound Name: | 4-({2-[(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 449.93 |
| Molecular Formula: | C23 H28 Cl N O6 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCC(NC[C@H]1CC[C@@H](CC1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9543 |
| logD: | 1.3939 |
| logSw: | -3.9858 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.032 |
| InChI Key: | FDQZIAJMTCXURQ-UHFFFAOYSA-N |