3-({6-[(2,2,3,3-tetrafluoropropoxy)carbonyl]cyclohex-3-ene-1-carbonyl}amino)benzoic acid
Chemical Structure Depiction of
3-({6-[(2,2,3,3-tetrafluoropropoxy)carbonyl]cyclohex-3-ene-1-carbonyl}amino)benzoic acid
3-({6-[(2,2,3,3-tetrafluoropropoxy)carbonyl]cyclohex-3-ene-1-carbonyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 8008-9318 |
| Compound Name: | 3-({6-[(2,2,3,3-tetrafluoropropoxy)carbonyl]cyclohex-3-ene-1-carbonyl}amino)benzoic acid |
| Molecular Weight: | 403.33 |
| Molecular Formula: | C18 H17 F4 N O5 |
| Smiles: | C1C=CCC(C1C(Nc1cccc(c1)C(O)=O)=O)C(=O)OCC(C(F)F)(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9188 |
| logD: | 1.033 |
| logSw: | -4.0041 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.059 |
| InChI Key: | ZFLJYPCTGLQGNP-UHFFFAOYSA-N |