1-[rel-(3aR,6aR)-5-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one

Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Available: 1 mg
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mg
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Compound characteristics

Compound ID: S987-0582
Compound Name: 1-[rel-(3aR,6aR)-5-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Molecular Weight: 429.52
Molecular Formula: C22 H31 N5 O4
Smiles: CCn1c(C)c(c(C)n1)c1cc(C(N2C[C@H]3CN(C[C@]3(C2)CO)C(C(C)C)=O)=O)no1
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 0.8449
logD: 0.8449
logSw: -0.9892
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 86.929
InChI Key: VVBJFTBDERDDQF-AOMKIAJQSA-N
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