2,2,2-trifluoroethyl 2-{[(adamantan-1-yl)methyl]carbamoyl}cyclohexane-1-carboxylate
Chemical Structure Depiction of
2,2,2-trifluoroethyl 2-{[(adamantan-1-yl)methyl]carbamoyl}cyclohexane-1-carboxylate
2,2,2-trifluoroethyl 2-{[(adamantan-1-yl)methyl]carbamoyl}cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | 8014-9141 |
| Compound Name: | 2,2,2-trifluoroethyl 2-{[(adamantan-1-yl)methyl]carbamoyl}cyclohexane-1-carboxylate |
| Molecular Weight: | 401.47 |
| Molecular Formula: | C21 H30 F3 N O3 |
| Smiles: | C1CCC(C(C1)C(NCC12CC3CC(CC(C3)C2)C1)=O)C(=O)OCC(F)(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1966 |
| logD: | 5.1966 |
| logSw: | -5.1175 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.006 |
| InChI Key: | TUECUVUZQHPREZ-UHFFFAOYSA-N |