rel-(5aR,7S,8aR)-N-benzyl-N-[(furan-2-yl)methyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-benzyl-N-[(furan-2-yl)methyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-N-benzyl-N-[(furan-2-yl)methyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0273 |
| Compound Name: | rel-(5aR,7S,8aR)-N-benzyl-N-[(furan-2-yl)methyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C27 H33 N3 O5 |
| Smiles: | C1COCCC1C(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(N(Cc1ccccc1)Cc1ccco1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1478 |
| logD: | 2.1478 |
| logSw: | -2.4901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.67 |
| InChI Key: | WLYVNMVHBTXEFY-ZDXQCDESSA-N |