rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-(2-methylbutan-2-yl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-(2-methylbutan-2-yl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-(2-methylbutan-2-yl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Compound characteristics
| Compound ID: | SB46-0617 |
| Compound Name: | rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-(2-methylbutan-2-yl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C22 H32 N4 O3 |
| Smiles: | CCC(C)(C)NC([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6085 |
| logD: | 1.6083 |
| logSw: | -2.0453 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77 |
| InChI Key: | MFIAAKFRUDUDTG-KSZLIROESA-N |