rel-(6R,9S)-N-(3,4-dimethylphenyl)-2-ethyl-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-(3,4-dimethylphenyl)-2-ethyl-4-oxo-3,4,5,6,7,8,9,10-octahydro-6,9-epiminocycloocta[d]pyrimidine-11-carboxamide
rel-(6R,9S)-N-(3,4-dimethylphenyl)-2-ethyl-4-oxo-3,4,5,6,7,8,9,10-octahydro-6,9-epiminocycloocta[d]pyrimidine-11-carboxamide
Compound characteristics
| Compound ID: | S889-1284 |
| Compound Name: | rel-(6R,9S)-N-(3,4-dimethylphenyl)-2-ethyl-4-oxo-3,4,5,6,7,8,9,10-octahydro-6,9-epiminocycloocta[d]pyrimidine-11-carboxamide |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C21 H26 N4 O2 |
| Smiles: | CCC1NC(C2C[C@H]3CC[C@@H](CC=2N=1)N3C(Nc1ccc(C)c(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.499 |
| logD: | 2.4956 |
| logSw: | -2.85 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.623 |
| InChI Key: | JQELYSYYBCZKTE-HZPDHXFCSA-N |