rel-(6R,9S)-N-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-3,4,5,6,7,8,9,10-octahydro-6,9-epiminocycloocta[d]pyrimidine-11-carboxamide
Chemical Structure Depiction of
rel-(6R,9S)-N-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-3,4,5,6,7,8,9,10-octahydro-6,9-epiminocycloocta[d]pyrimidine-11-carboxamide
rel-(6R,9S)-N-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-3,4,5,6,7,8,9,10-octahydro-6,9-epiminocycloocta[d]pyrimidine-11-carboxamide
Compound characteristics
| Compound ID: | S889-0103 |
| Compound Name: | rel-(6R,9S)-N-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-3,4,5,6,7,8,9,10-octahydro-6,9-epiminocycloocta[d]pyrimidine-11-carboxamide |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C19 H21 F N4 O2 |
| Smiles: | CC1NC(C2C[C@H]3CC[C@@H](CC=2N=1)N3C(NCc1cccc(c1)F)=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.9072 |
| logD: | 0.9052 |
| logSw: | -1.9105 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.607 |
| InChI Key: | JITOGYJNBLEHCC-CABCVRRESA-N |