rel-(5aR,7S,8aR)-2-oxo-N-propyl-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]octahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-2-oxo-N-propyl-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]octahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
rel-(5aR,7S,8aR)-2-oxo-N-propyl-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]octahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
Compound characteristics
| Compound ID: | SB46-0688 |
| Compound Name: | rel-(5aR,7S,8aR)-2-oxo-N-propyl-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]octahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C21 H31 N7 O3 |
| Smiles: | CCCNC(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(N1CCN(CC1)c1ncccn1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9379 |
| logD: | 0.9379 |
| logSw: | -1.8137 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.408 |
| InChI Key: | LTZFRBNTJVXFQG-BBWFWOEESA-N |