(3S,3aS,6aS)-5-[(3,4-dimethoxyphenyl)methyl]-1-methyl-3-(2-methylpyrimidin-4-yl)oxy-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
AlkaPlorer ID: AK363955
Synonym: None
IUPAC Name: (3S,3aS,6aS)-5-[(3,4-dimethoxyphenyl)methyl]-1-methyl-3-(2-methylpyrimidin-4-yl)oxy-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
Structure
SMILES: COC1=CC=C(CN2C[C@@H]3[C@H](OC4=CC=NC(C)=N4)C(=O)N(C)[C@@H]3C2)C=C1OC
InChI: InChI=1S/C21H26N4O4/c1-13-22-8-7-19(23-13)29-20-15-11-25(12-16(15)24(2)21(20)26)10-14-5-6-17(27-3)18(9-14)28-4/h5-9,15-16,20H,10-12H2,1-4H3/t15-,16+,20-/m0/s1
InChIKey: DEGPUGVOFLOOPB-YRNRMSPPSA-N
Source
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Properties Information
Molecule Weight: 398.4630000000002
TPSA？: 77.02000000000001
MolLogP？: 1.5222199999999997
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 4
Activities Information
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