rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-[(furan-2-yl)methyl]-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-[(furan-2-yl)methyl]-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-[(furan-2-yl)methyl]-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Compound characteristics
| Compound ID: | SB46-0657 |
| Compound Name: | rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-[(furan-2-yl)methyl]-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C22 H26 N4 O4 |
| Smiles: | C1[C@@H](C[C@@H]2[C@H]1CN(CC(N2)=O)C(NCc1ccccc1)=O)C(NCc1ccco1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3207 |
| logD: | 1.3207 |
| logSw: | -1.7346 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.186 |
| InChI Key: | RDTHQUNLVCOCAU-SCTDSRPQSA-N |