rel-(8aR,12aS)-N-(2-fluorophenyl)-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide
Chemical Structure Depiction of
rel-(8aR,12aS)-N-(2-fluorophenyl)-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide
rel-(8aR,12aS)-N-(2-fluorophenyl)-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide
Compound characteristics
| Compound ID: | S780-0209 |
| Compound Name: | rel-(8aR,12aS)-N-(2-fluorophenyl)-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide |
| Molecular Weight: | 347.43 |
| Molecular Formula: | C19 H26 F N3 O2 |
| Smiles: | C1CCNC([C@@H]2CCCC[C@@H]2N(CC1)C(Nc1ccccc1F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7747 |
| logD: | 2.7747 |
| logSw: | -3.103 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.631 |
| InChI Key: | UAAAZVIGDOIQRT-PBHICJAKSA-N |