rel-(6R,9S)-N-(3-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-2-ethyl-4-oxo-3,4,5,6,7,8,9,10-octahydro-6,9-epiminocycloocta[d]pyrimidine-11-carboxamide
Compound characteristics
| Compound ID: | S889-1168 |
| Compound Name: | rel-(6R,9S)-N-(3-chlorophenyl)-2-ethyl-4-oxo-3,4,5,6,7,8,9,10-octahydro-6,9-epiminocycloocta[d]pyrimidine-11-carboxamide |
| Molecular Weight: | 372.85 |
| Molecular Formula: | C19 H21 Cl N4 O2 |
| Smiles: | CCC1NC(C2C[C@H]3CC[C@@H](CC=2N=1)N3C(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2652 |
| logD: | 2.2617 |
| logSw: | -3.3607 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.623 |
| InChI Key: | YZKNQVZMBJIRPT-KGLIPLIRSA-N |