rel-(5aR,7S,8aR)-N~7~-{2-[ethyl(phenyl)amino]ethyl}-2-oxo-N~4~-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N~7~-{2-[ethyl(phenyl)amino]ethyl}-2-oxo-N~4~-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
rel-(5aR,7S,8aR)-N~7~-{2-[ethyl(phenyl)amino]ethyl}-2-oxo-N~4~-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Compound characteristics
| Compound ID: | SB46-0706 |
| Compound Name: | rel-(5aR,7S,8aR)-N~7~-{2-[ethyl(phenyl)amino]ethyl}-2-oxo-N~4~-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C23 H35 N5 O3 |
| Smiles: | CCCNC(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(NCCN(CC)c1ccccc1)=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.9156 |
| logD: | 1.9113 |
| logSw: | -2.4054 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.382 |
| InChI Key: | GLEISGARGXZANG-NSHGMRRFSA-N |