rel-(6R,9S)-11-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-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-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
rel-(6R,9S)-11-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | S889-0069 |
| Compound Name: | rel-(6R,9S)-11-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one |
| Molecular Weight: | 356.42 |
| Molecular Formula: | C19 H24 N4 O3 |
| Smiles: | CC1NC(C2C[C@H]3CC[C@@H](CC=2N=1)N3C(CCc1c(C)noc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2416 |
| logD: | 0.2396 |
| logSw: | -1.407 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.975 |
| InChI Key: | XHJDFIPNGATCAQ-ZIAGYGMSSA-N |