rel-(1R,4S)-1-({4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]piperazine-1-sulfonyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Chemical Structure Depiction of
rel-(1R,4S)-1-({4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]piperazine-1-sulfonyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
rel-(1R,4S)-1-({4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]piperazine-1-sulfonyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Compound characteristics
| Compound ID: | V001-6896 |
| Compound Name: | rel-(1R,4S)-1-({4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]piperazine-1-sulfonyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one |
| Molecular Weight: | 613.14 |
| Molecular Formula: | C30 H36 Cl F3 N2 O4 S |
| Salt: | not_available |
| Smiles: | [H][C@]12CC[C@](CS(N3CCN(CC3)CC(c3ccc(cc3)[Cl])OCc3ccc(cc3)C(F)(F)F)(=O)=O)(C(C1)=O)C2(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7986 |
| logD: | 5.7973 |
| logSw: | -6.2147 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 56.357 |
| InChI Key: | NUDOXXUFGDQYQS-XRWWYBFTSA-N |