N-[rel-(1R,2R)-2-(4-fluorobenzamido)cyclohexyl]-1-(4-methyl-3-nitrobenzoyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[rel-(1R,2R)-2-(4-fluorobenzamido)cyclohexyl]-1-(4-methyl-3-nitrobenzoyl)piperidine-3-carboxamide
N-[rel-(1R,2R)-2-(4-fluorobenzamido)cyclohexyl]-1-(4-methyl-3-nitrobenzoyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | V013-1224 |
| Compound Name: | N-[rel-(1R,2R)-2-(4-fluorobenzamido)cyclohexyl]-1-(4-methyl-3-nitrobenzoyl)piperidine-3-carboxamide |
| Molecular Weight: | 510.57 |
| Molecular Formula: | C27 H31 F N4 O5 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N1CCCC(C1)C(N[C@@H]1CCCC[C@H]1NC(c1ccc(cc1)F)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.139 |
| logD: | 3.139 |
| logSw: | -3.3877 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.766 |
| InChI Key: | WVVLMMGBJKSZMB-FALYVICWSA-N |