rel-(5aR,8aR)-1-benzyl-N-(3-fluoro-2-methylphenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-N-(3-fluoro-2-methylphenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-1-benzyl-N-(3-fluoro-2-methylphenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
Compound ID: | SB66-1154 |
Compound Name: | rel-(5aR,8aR)-1-benzyl-N-(3-fluoro-2-methylphenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
Molecular Weight: | 395.48 |
Molecular Formula: | C23 H26 F N3 O2 |
Smiles: | Cc1c(cccc1F)NC(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 3.582 |
logD: | 3.582 |
logSw: | -3.6228 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.307 |
InChI Key: | WRVYYODFIQNPAH-GHTZIAJQSA-N |