4-(4-carboxy-3,7-dimethyloctanamido)benzoic acid
Chemical Structure Depiction of
4-(4-carboxy-3,7-dimethyloctanamido)benzoic acid
4-(4-carboxy-3,7-dimethyloctanamido)benzoic acid
Compound characteristics
| Compound ID: | 3886-0890 |
| Compound Name: | 4-(4-carboxy-3,7-dimethyloctanamido)benzoic acid |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C18 H25 N O5 |
| Smiles: | CC(C)CCC(C(C)CC(Nc1ccc(cc1)C(O)=O)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2386 |
| logD: | 0.8434 |
| logSw: | -3.5752 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.204 |
| InChI Key: | CNEPDGBDXWCIAM-UHFFFAOYSA-N |