rel-(6R,9S)-N-ethyl-4-oxo-2-phenyl-3,4,5,6,7,8,9,10-octahydro-6,9-epiminocycloocta[d]pyrimidine-11-carboxamide
Chemical Structure Depiction of
rel-(6R,9S)-N-ethyl-4-oxo-2-phenyl-3,4,5,6,7,8,9,10-octahydro-6,9-epiminocycloocta[d]pyrimidine-11-carboxamide
rel-(6R,9S)-N-ethyl-4-oxo-2-phenyl-3,4,5,6,7,8,9,10-octahydro-6,9-epiminocycloocta[d]pyrimidine-11-carboxamide
Compound characteristics
| Compound ID: | S889-0502 |
| Compound Name: | rel-(6R,9S)-N-ethyl-4-oxo-2-phenyl-3,4,5,6,7,8,9,10-octahydro-6,9-epiminocycloocta[d]pyrimidine-11-carboxamide |
| Molecular Weight: | 338.41 |
| Molecular Formula: | C19 H22 N4 O2 |
| Smiles: | CCNC(N1[C@H]2CC[C@@H]1CC1=C(C2)N=C(c2ccccc2)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1811 |
| logD: | 0.8248 |
| logSw: | -2.0918 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.561 |
| InChI Key: | NPJRSERMUTVBBR-ZIAGYGMSSA-N |