rel-(8aR,12aS)-N-[(4-fluorophenyl)methyl]-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide
Chemical Structure Depiction of
rel-(8aR,12aS)-N-[(4-fluorophenyl)methyl]-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide
rel-(8aR,12aS)-N-[(4-fluorophenyl)methyl]-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide
Compound characteristics
| Compound ID: | S780-0222 |
| Compound Name: | rel-(8aR,12aS)-N-[(4-fluorophenyl)methyl]-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C20 H28 F N3 O2 |
| Smiles: | C1CCNC([C@@H]2CCCC[C@@H]2N(CC1)C(NCc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3902 |
| logD: | 2.3902 |
| logSw: | -2.7876 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.651 |
| InChI Key: | ZKFQPSOPAPYZQJ-MSOLQXFVSA-N |