ChemSpider 2D Image | 2-Methyl-N-(2-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-5-pyrimidinyl)-5-{[3-(trifluoromethyl)benzoyl]amino}benzamide | C31H30F3N7O2

2-Methyl-N-(2-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-5-pyrimidinyl)-5-{[3-(trifluoromethyl)benzoyl]amino}benzamide

  • Molecular FormulaC31H30F3N7O2
  • Average mass589.611 Da
  • Monoisotopic mass589.241333 Da
  • ChemSpider ID17275940

More details:

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

2-Methyl-N-(2-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-5-pyrimidinyl)-5-{[3-(trifluormethyl)benzoyl]amino}benzamid [German] [ACD/IUPAC Name]
2-Methyl-N-(2-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-5-pyrimidinyl)-5-{[3-(trifluoromethyl)benzoyl]amino}benzamide [ACD/IUPAC Name]
2-Méthyl-N-(2-{[4-(4-méthyl-1-pipérazinyl)phényl]amino}-5-pyrimidinyl)-5-{[3-(trifluorométhyl)benzoyl]amino}benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-methyl-N-[2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-5-pyrimidinyl]-5-[[3-(trifluoromethyl)benzoyl]amino]- [ACD/Index Name]
2-methyl-N-(2-((4-(4-methyl-1-piperazinyl)phenyl)amino)-5-pyrimidinyl)-5-(((3-(trifluoromethyl)phenyl)carbonyl)amino)benzamide
2-methyl-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-5-{[3-(trifluoromethyl)benzoyl]amino}benzamide
Aminopyrimidine amide, 13b
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL272888/

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: 4.17
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 3.92
ACD/KOC (pH 5.5): 19.88
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 208.92
ACD/KOC (pH 7.4): 1058.49
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


Advertisement