3-[(3-chloro-4-fluorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Chemical Structure Depiction of
3-[(3-chloro-4-fluorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
3-[(3-chloro-4-fluorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y206-0172 |
| Compound Name: | 3-[(3-chloro-4-fluorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| Molecular Weight: | 313.71 |
| Molecular Formula: | C14 H13 Cl F N O4 |
| Smiles: | C1CC2C(C(C1O2)C(O)=O)C(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9134 |
| logD: | 1.3974 |
| logSw: | -3.9421 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.362 |
| InChI Key: | NTLXWSUYSXYVKK-UHFFFAOYSA-N |