ChemSpider 2D Image | 3-(4,5'-Bipyrimidin-2-ylamino)-N-{4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}-4-methylbenzamide | C30H31F3N8O

3-(4,5'-Bipyrimidin-2-ylamino)-N-{4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}-4-methylbenzamide

  • Molecular FormulaC30H31F3N8O
  • Average mass576.615 Da
  • Monoisotopic mass576.257263 Da
  • ChemSpider ID9540123

More details:

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

3-(4,5'-Bipyrimidin-2-ylamino)-N-{4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluormethyl)phenyl}-4-methylbenzamid [German] [ACD/IUPAC Name]
3-(4,5'-Bipyrimidin-2-ylamino)-N-{4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}-4-methylbenzamide [ACD/IUPAC Name]
3-(4,5'-Bipyrimidin-2-ylamino)-N-{4-[(4-éthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)phényl}-4-méthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 3-([4,5'-bipyrimidin]-2-ylamino)-N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 154.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.45
ACD/KOC (pH 5.5): 10.72
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 70.67
ACD/KOC (pH 7.4): 522.75
Polar Surface Area: 99 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 437.3±3.0 cm3

Click to predict properties on the Chemicalize site


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