ChemSpider 2D Image | 4-[[2-[[4-[2-(4-ACETYL-1-PIPERAZINYL)-2-OXOETHYL]PHENYL]AMINO]-5-FLUORO-4-PYRIMIDINYL]AMINO]-N-(2-CHLOROPHENYL)BENZAMIDE | C31H29ClFN7O3

4-[[2-[[4-[2-(4-ACETYL-1-PIPERAZINYL)-2-OXOETHYL]PHENYL]AMINO]-5-FLUORO-4-PYRIMIDINYL]AMINO]-N-(2-CHLOROPHENYL)BENZAMIDE

  • Molecular FormulaC31H29ClFN7O3
  • Average mass602.058 Da
  • Monoisotopic mass601.200439 Da
  • ChemSpider ID23338228

More details:






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

1158838-43-7 [RN]
4-[[2-[[4-[2-(4-ACETYL-1-PIPERAZINYL)-2-OXOETHYL]PHENYL]AMINO]-5-FLUORO-4-PYRIMIDINYL]AMINO]-N-(2-CHLOROPHENYL)BENZAMIDE
4-{[2-({4-[2-(4-Acetyl-1-piperazinyl)-2-oxoethyl]phenyl}amino)-5-fluor-4-pyrimidinyl]amino}-N-(2-chlorphenyl)benzamid [German] [ACD/IUPAC Name]
4-{[2-({4-[2-(4-Acetyl-1-piperazinyl)-2-oxoethyl]phenyl}amino)-5-fluoro-4-pyrimidinyl]amino}-N-(2-chlorophenyl)benzamide [ACD/IUPAC Name]
4-{[2-({4-[2-(4-Acétyl-1-pipérazinyl)-2-oxoéthyl]phényl}amino)-5-fluoro-4-pyrimidinyl]amino}-N-(2-chlorophényl)benzamide [French] [ACD/IUPAC Name]
4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-N-(2-chlorophenyl)benzamide
2,4-Bisanilinopyrimidine, 9
4-((2-((4-(2-(4-acetylpiperazin-1-yl)-2-oxoethyl)phenyl)amino)-5-fluoropyrimidin-4-yl)amino)-N-(2-chlorophenyl)benzamide
4-(2-(4-(2-(4-Acetylpiperazin-1-yl)-2-oxoethyl)phenylamino)-5-fluoropyrimidin-4-ylamino)-N-(2-chlorophenyl)benzamide
45B
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1630
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1630
      no pictogram Axon Medchem 1630
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1630
      Warning Axon Medchem 1630

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.692
Molar Refractivity: 162.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 371.57
ACD/KOC (pH 5.5): 2381.75
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 384.70
ACD/KOC (pH 7.4): 2465.91
Polar Surface Area: 120 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 72.1±3.0 dyne/cm
Molar Volume: 425.3±3.0 cm3

Click to predict properties on the Chemicalize site






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