[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyrimidin-5-yl)methanone

Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyrimidin-5-yl)methanone
Available: 36 mg
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mg
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Compound characteristics

Compound ID: SB47-0646
Compound Name: [rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyrimidin-5-yl)methanone
Molecular Weight: 403.44
Molecular Formula: C21 H21 N7 O2
Smiles: Cc1nc([C@@]23CN(C[C@H]3CN(C2)C(c2cncnc2)=O)C(c2ccccc2)=O)[nH]n1
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: -0.2661
logD: -0.2664
logSw: -1.3542
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 87.877
InChI Key: MSIBJHZYEWFCMB-UTKZUKDTSA-N
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