rel-(5aR,7S,8aR)-4-(oxane-4-carbonyl)-2-oxo-N-(3-phenylpropyl)decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-4-(oxane-4-carbonyl)-2-oxo-N-(3-phenylpropyl)decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-4-(oxane-4-carbonyl)-2-oxo-N-(3-phenylpropyl)decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0253 |
| Compound Name: | rel-(5aR,7S,8aR)-4-(oxane-4-carbonyl)-2-oxo-N-(3-phenylpropyl)decahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C24 H33 N3 O4 |
| Smiles: | C(Cc1ccccc1)CNC([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(C1CCOCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9541 |
| logD: | 1.9541 |
| logSw: | -2.3726 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.237 |
| InChI Key: | ZPKFZNUBORWZPY-HBMCJLEFSA-N |