rel-(5aR,7S,8aR)-N-methyl-4-(oxane-4-carbonyl)-2-oxo-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-methyl-4-(oxane-4-carbonyl)-2-oxo-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-N-methyl-4-(oxane-4-carbonyl)-2-oxo-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0221 |
| Compound Name: | rel-(5aR,7S,8aR)-N-methyl-4-(oxane-4-carbonyl)-2-oxo-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]decahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C26 H33 N5 O4 |
| Smiles: | CN(Cc1cnn(c1)c1ccccc1)C([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(C1CCOCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3648 |
| logD: | 1.3648 |
| logSw: | -2.0608 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.49 |
| InChI Key: | JSYVSXMBRBXXEB-XJUOHMSHSA-N |