rel-(5aR,7S,8aR)-N~4~-benzyl-2-oxo-N~7~-[(thiophen-2-yl)methyl]octahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N~4~-benzyl-2-oxo-N~7~-[(thiophen-2-yl)methyl]octahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
rel-(5aR,7S,8aR)-N~4~-benzyl-2-oxo-N~7~-[(thiophen-2-yl)methyl]octahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Compound characteristics
| Compound ID: | SB46-0594 |
| Compound Name: | rel-(5aR,7S,8aR)-N~4~-benzyl-2-oxo-N~7~-[(thiophen-2-yl)methyl]octahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C22 H26 N4 O3 S |
| Smiles: | C1[C@@H](C[C@@H]2[C@H]1CN(CC(N2)=O)C(NCc1ccccc1)=O)C(NCc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5451 |
| logD: | 1.5451 |
| logSw: | -2.2948 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.456 |
| InChI Key: | TWZNTTPDFROIHD-ZHALLVOQSA-N |