rel-(5aR,8aR)-7-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
Compound ID: | SB66-0335 |
Compound Name: | rel-(5aR,8aR)-7-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
Molecular Weight: | 408.54 |
Molecular Formula: | C24 H32 N4 O2 |
Smiles: | Cc1ccc(CN2C(CCC[C@@H]3CN(C[C@H]23)C(CCn2c(C)cc(C)n2)=O)=O)cc1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 1.6842 |
logD: | 1.684 |
logSw: | -2.0653 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 46.642 |
InChI Key: | FFXVKXUFFZZCSH-VXKWHMMOSA-N |