rel-(9aR,12aS)-1-benzoyl-9-oxo-N-(propan-2-yl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecine-5(2H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,12aS)-1-benzoyl-9-oxo-N-(propan-2-yl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecine-5(2H)-carboxamide
rel-(9aR,12aS)-1-benzoyl-9-oxo-N-(propan-2-yl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecine-5(2H)-carboxamide
Compound characteristics
| Compound ID: | SB82-0784 |
| Compound Name: | rel-(9aR,12aS)-1-benzoyl-9-oxo-N-(propan-2-yl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecine-5(2H)-carboxamide |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C22 H32 N4 O3 |
| Smiles: | CC(C)NC(N1CCCN(C(c2ccccc2)=O)[C@H]2CCC[C@H]2C(NCC1)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.4672 |
| logD: | 1.4672 |
| logSw: | -2.0914 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.719 |
| InChI Key: | HBBJCEDRDFDNNJ-MOPGFXCFSA-N |