rel-(5aR,7S,8aR)-4-benzoyl-N-[(furan-2-yl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-4-benzoyl-N-[(furan-2-yl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-4-benzoyl-N-[(furan-2-yl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0121 |
| Compound Name: | rel-(5aR,7S,8aR)-4-benzoyl-N-[(furan-2-yl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C21 H23 N3 O4 |
| Smiles: | C1[C@@H](C[C@@H]2[C@H]1CN(CC(N2)=O)C(c1ccccc1)=O)C(NCc1ccco1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1902 |
| logD: | 1.1902 |
| logSw: | -1.847 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.043 |
| InChI Key: | SOZYNSSJRMXYBR-JZXOWHBKSA-N |