3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y204-6349 |
| Compound Name: | 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 361.7 |
| Molecular Formula: | C15 H11 Cl F3 N O4 |
| Smiles: | C1=CC2C(C(C1O2)C(O)=O)C(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8708 |
| logD: | 0.6494 |
| logSw: | -3.389 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.664 |
| InChI Key: | CDXZRWCETYMXEM-UHFFFAOYSA-N |