2-[2-amino-5-(4-bromophenyl)pyrimidin-4-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol
AlkaPlorer ID: AK217393
Synonym: None
IUPAC Name: 2-[2-amino-5-(4-bromophenyl)pyrimidin-4-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol
Structure
SMILES: NC1=NC=C(C2=CC=C(Br)C=C2)C(C2=CC=C(OCC3=CC=C(Cl)C=C3Cl)C=C2O)=N1
InChI: InChI=1S/C23H16BrCl2N3O2/c24-15-4-1-13(2-5-15)19-11-28-23(27)29-22(19)18-8-7-17(10-21(18)30)31-12-14-3-6-16(25)9-20(14)26/h1-11,30H,12H2,(H2,27,28,29)
InChIKey: USYOOFLDJDYVHT-UHFFFAOYSA-N
Reference
Normal and Pathologic Concentrations of Uremic Toxins
Volatile organic compounds from feces and their potential for diagnosis of gastrointestinal disease
A review of the volatiles from the healthy human body
PubChem CID: 3566491
SuperNatural Ⅲ: SN0379262
COCONUT: CNP0281458
Source
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Properties Information
Molecule Weight: 517.2100000000002
TPSA？: 81.26
MolLogP？: 6.746700000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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