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Search term: JZLAJYOZJKREKH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-Methyl-N~3~-(2-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-5-pyrimidinyl)-N~1~-[3-(trifluoromethyl)phenyl]isophthalamide | C31H30F3N7O2

4-Methyl-N3-(2-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-5-pyrimidinyl)-N1-[3-(trifluoromethyl)phenyl]isophthalamide

  • Molecular FormulaC31H30F3N7O2
  • Average mass589.611 Da
  • Monoisotopic mass589.241333 Da
  • ChemSpider ID23325662

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3-Benzenedicarboxamide, 4-methyl-N3-[2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-5-pyrimidinyl]-N1-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
4-Methyl-N3-(2-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-5-pyrimidinyl)-N1-[3-(trifluormethyl)phenyl]isophthalamid [German] [ACD/IUPAC Name]
4-Méthyl-N3-(2-{[4-(4-méthyl-1-pipérazinyl)phényl]amino}-5-pyrimidinyl)-N1-[3-(trifluorométhyl)phényl]isophtalamide [French] [ACD/IUPAC Name]
4-Methyl-N3-(2-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-5-pyrimidinyl)-N1-[3-(trifluoromethyl)phenyl]isophthalamide [ACD/IUPAC Name]
4-methyl-N3-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N1-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
4-methyl-N3-(2-(4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-5-yl)-N1-(3-(trifluoromethyl)phenyl)isophthalamide
AM5
Aminopyrimidine amide, 10b
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL408070/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 159.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 6.28
ACD/KOC (pH 5.5): 27.84
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 334.71
ACD/KOC (pH 7.4): 1483.15
Polar Surface Area: 102 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 432.8±3.0 cm3

Click to predict properties on the Chemicalize site


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