rel-(6R,9S)-2-methyl-11-{[4-(trifluoromethoxy)phenyl]methyl}-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
rel-(6R,9S)-2-methyl-11-{[4-(trifluoromethoxy)phenyl]methyl}-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
rel-(6R,9S)-2-methyl-11-{[4-(trifluoromethoxy)phenyl]methyl}-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | S889-0027 |
| Compound Name: | rel-(6R,9S)-2-methyl-11-{[4-(trifluoromethoxy)phenyl]methyl}-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one |
| Molecular Weight: | 379.38 |
| Molecular Formula: | C19 H20 F3 N3 O2 |
| Smiles: | CC1NC(C2C[C@H]3CC[C@@H](CC=2N=1)N3Cc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6296 |
| logD: | 1.9417 |
| logSw: | -3.0653 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.817 |
| InChI Key: | ZUEXXISFXLLWSO-KGLIPLIRSA-N |