rel-(6R,9S)-11-[(3,5-difluorophenyl)methyl]-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
rel-(6R,9S)-11-[(3,5-difluorophenyl)methyl]-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
rel-(6R,9S)-11-[(3,5-difluorophenyl)methyl]-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | S889-0028 |
| Compound Name: | rel-(6R,9S)-11-[(3,5-difluorophenyl)methyl]-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one |
| Molecular Weight: | 331.36 |
| Molecular Formula: | C18 H19 F2 N3 O |
| Smiles: | CC1NC(C2C[C@H]3CC[C@@H](CC=2N=1)N3Cc1cc(cc(c1)F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8512 |
| logD: | 1.3571 |
| logSw: | -2.4725 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.88 |
| InChI Key: | LOBMSSPCRVPVOW-CABCVRRESA-N |