rel-(6R,9S)-N-(3-methylbutyl)-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-(3-methylbutyl)-4-oxo-2-phenyl-3,4,5,6,7,8,9,10-octahydro-6,9-epiminocycloocta[d]pyrimidine-11-carboxamide
rel-(6R,9S)-N-(3-methylbutyl)-4-oxo-2-phenyl-3,4,5,6,7,8,9,10-octahydro-6,9-epiminocycloocta[d]pyrimidine-11-carboxamide
Compound characteristics
| Compound ID: | S889-0687 |
| Compound Name: | rel-(6R,9S)-N-(3-methylbutyl)-4-oxo-2-phenyl-3,4,5,6,7,8,9,10-octahydro-6,9-epiminocycloocta[d]pyrimidine-11-carboxamide |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C22 H28 N4 O2 |
| Smiles: | CC(C)CCNC(N1[C@H]2CC[C@@H]1CC1=C(C2)N=C(c2ccccc2)NC1=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.6916 |
| logD: | 2.3352 |
| logSw: | -3.209 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.777 |
| InChI Key: | WFUWYIGUDKLGEV-IAGOWNOFSA-N |