rel-(5aR,7S,8aR)-7-(4-benzylpiperidine-1-carbonyl)-2-oxo-N-propyloctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-7-(4-benzylpiperidine-1-carbonyl)-2-oxo-N-propyloctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
rel-(5aR,7S,8aR)-7-(4-benzylpiperidine-1-carbonyl)-2-oxo-N-propyloctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
Compound characteristics
| Compound ID: | SB46-0748 |
| Compound Name: | rel-(5aR,7S,8aR)-7-(4-benzylpiperidine-1-carbonyl)-2-oxo-N-propyloctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide |
| Molecular Weight: | 440.59 |
| Molecular Formula: | C25 H36 N4 O3 |
| Smiles: | CCCNC(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(N1CCC(CC1)Cc1ccccc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1088 |
| logD: | 3.1088 |
| logSw: | -3.1723 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.514 |
| InChI Key: | STUJFHDMNRLKHS-BDTNDASRSA-N |