(3S,3aS,6aS)-1-methyl-3-(2-methylpyrimidin-4-yl)oxy-5-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
AlkaPlorer ID: AK571460
Synonym: None
IUPAC Name: (3S,3aS,6aS)-1-methyl-3-(2-methylpyrimidin-4-yl)oxy-5-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
Structure
SMILES: CC1=NC(O[C@@H]2C(=O)N(C)[C@@H]3CN(CC4=CC=C(C(F)(F)F)C=C4)C[C@H]23)=CC=N1
InChI: InChI=1S/C20H21F3N4O2/c1-12-24-8-7-17(25-12)29-18-15-10-27(11-16(15)26(2)19(18)28)9-13-3-5-14(6-4-13)20(21,22)23/h3-8,15-16,18H,9-11H2,1-2H3/t15-,16+,18-/m0/s1
InChIKey: XMVSWTGLGVMDRR-JZXOWHBKSA-N
Reference
Constituents of Chinese Propolis and Their Antiproliferative Activities
PubChem CID: 146119941
Source
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Properties Information
Molecule Weight: 406.408
TPSA？: 58.56
MolLogP？: 2.5238200000000006
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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