2-{[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]carbamoyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
2-{[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]carbamoyl}cyclohexane-1-carboxylic acid
2-{[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]carbamoyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-0257 |
| Compound Name: | 2-{[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]carbamoyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 390.31 |
| Molecular Formula: | C16 H17 F3 N2 O6 |
| Smiles: | C1CCC(C(C1)C(O)=O)C(Nc1cc(cc(c1)OCC(F)(F)F)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1901 |
| logD: | 0.5394 |
| logSw: | -3.3861 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.811 |
| InChI Key: | IHKSVVIOCCZBMR-UHFFFAOYSA-N |