ChemSpider 2D Image | 3-{(E)-2-[6-(Cyclopropylamino)-9H-purin-9-yl]vinyl}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide | C29H25F3N8O

3-{(E)-2-[6-(Cyclopropylamino)-9H-purin-9-yl]vinyl}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide

  • Molecular FormulaC29H25F3N8O
  • Average mass558.557 Da
  • Monoisotopic mass558.210327 Da
  • ChemSpider ID24611742

  • Double-bond stereo - Double-bond stereo

More details:

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

3-{(E)-2-[6-(Cyclopropylamino)-9h-Purin-9-Yl]ethenyl}-4-Methyl-N-[3-(4-Methyl-1h-Imidazol-1-Yl)-5-(Trifluoromethyl)phenyl]benzamide
3-{(E)-2-[6-(Cyclopropylamino)-9H-purin-9-yl]vinyl}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluormethyl)phenyl]benzamid [German] [ACD/IUPAC Name]
3-{(E)-2-[6-(Cyclopropylamino)-9H-purin-9-yl]vinyl}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide [ACD/IUPAC Name]
3-{(E)-2-[6-(Cyclopropylamino)-9H-purin-9-yl]vinyl}-4-méthyl-N-[3-(4-méthyl-1H-imidazol-1-yl)-5-(trifluorométhyl)phényl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[(E)-2-[6-(cyclopropylamino)-9H-purin-9-yl]ethenyl]-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]- [ACD/Index Name]
(E)-3-(2-(6-(cyclopropylamino)-9H-purin-9-yl)vinyl)-4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)benzamide
3-[(E)-2-[6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL]ETHENYL]-4-METHYL-N-[3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
3-[(E)-2-[6-(CYCLOPROPYLAMINO)PURIN-9-YL]ETHENYL]-4-METHYL-N-[3-(4-METHYLIMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
926922-16-9 [RN]
AP24163
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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: 1.689
Molar Refractivity: 147.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 1899.06
ACD/KOC (pH 5.5): 5918.27
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4775.25
ACD/KOC (pH 7.4): 14881.64
Polar Surface Area: 103 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 386.9±7.0 cm3

Click to predict properties on the Chemicalize site


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