rel-(5aR,8aR)-N-(3,4-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-N-(3,4-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-N-(3,4-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
Compound ID: | SB66-1013 |
Compound Name: | rel-(5aR,8aR)-N-(3,4-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
Molecular Weight: | 409.5 |
Molecular Formula: | C24 H28 F N3 O2 |
Smiles: | Cc1ccc(cc1C)NC(N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 4.1343 |
logD: | 4.1343 |
logSw: | -4.2777 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 42.005 |
InChI Key: | UAYGJOIAVYEJFS-KNQAVFIVSA-N |