rel-(8aR,12aS)-8-oxo-N-(propan-2-yl)dodecahydro-1,7-benzodiazecine-1(2H)-carboxamide
Chemical Structure Depiction of
rel-(8aR,12aS)-8-oxo-N-(propan-2-yl)dodecahydro-1,7-benzodiazecine-1(2H)-carboxamide
rel-(8aR,12aS)-8-oxo-N-(propan-2-yl)dodecahydro-1,7-benzodiazecine-1(2H)-carboxamide
Compound characteristics
| Compound ID: | S780-0212 |
| Compound Name: | rel-(8aR,12aS)-8-oxo-N-(propan-2-yl)dodecahydro-1,7-benzodiazecine-1(2H)-carboxamide |
| Molecular Weight: | 295.42 |
| Molecular Formula: | C16 H29 N3 O2 |
| Smiles: | CC(C)NC(N1CCCCCNC([C@@H]2CCCC[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8515 |
| logD: | 1.8515 |
| logSw: | -2.4274 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.897 |
| InChI Key: | NZUDFUNZGINMCF-KGLIPLIRSA-N |