3-N-[[4-(dimethylamino)phenyl]methyl]-6-N-[4-(3-fluorophenyl)pyrimidin-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine
AlkaPlorer ID: AK461438
Synonym: None
IUPAC Name: 3-N-[[4-(dimethylamino)phenyl]methyl]-6-N-[4-(3-fluorophenyl)pyrimidin-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine
Structure
SMILES: CN(C)C1=CC=C(CNC2COC3C(NC4=NC=CC(C5=CC=CC(F)=C5)=N4)COC23)C=C1
InChI: InChI=1S/C25H28FN5O2/c1-31(2)19-8-6-16(7-9-19)13-28-21-14-32-24-22(15-33-23(21)24)30-25-27-11-10-20(29-25)17-4-3-5-18(26)12-17/h3-12,21-24,28H,13-15H2,1-2H3,(H,27,29,30)
InChIKey: MVZCJEIUNQPEQF-UHFFFAOYSA-N
Reference
Interesting aspects of marine natural products chemistry
PubChem CID: 73147217
COCONUT: CNP0457598.1
Source
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Properties Information
Molecule Weight: 449.53000000000014
TPSA？: 71.54
MolLogP？: 3.0852000000000013
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
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