ChemSpider 2D Image | 4-Tert-Butyl-N-[2-Methyl-3-(6-{[4-(Morpholin-4-Ylcarbonyl)phenyl]amino}-7h-Purin-2-Yl)phenyl]benzamide | C34H35N7O3

4-Tert-Butyl-N-[2-Methyl-3-(6-{[4-(Morpholin-4-Ylcarbonyl)phenyl]amino}-7h-Purin-2-Yl)phenyl]benzamide

  • Molecular FormulaC34H35N7O3
  • Average mass589.687 Da
  • Monoisotopic mass589.280151 Da
  • ChemSpider ID34253876

More details:

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

4-Tert-Butyl-N-[2-Methyl-3-(6-{[4-(Morpholin-4-Ylcarbonyl)phenyl]amino}-7h-Purin-2-Yl)phenyl]benzamide
Benzamide, 4-(1,1-dimethylethyl)-N-[2-methyl-3-[6-[[4-(4-morpholinylcarbonyl)phenyl]amino]-9H-purin-2-yl]phenyl]- [ACD/Index Name]
N-[2-Methyl-3-(6-{[4-(4-morpholinylcarbonyl)phenyl]amino}-9H-purin-2-yl)phenyl]-4-(2-methyl-2-propanyl)benzamid [German] [ACD/IUPAC Name]
N-[2-Methyl-3-(6-{[4-(4-morpholinylcarbonyl)phenyl]amino}-9H-purin-2-yl)phenyl]-4-(2-methyl-2-propanyl)benzamide [ACD/IUPAC Name]
N-[2-Méthyl-3-(6-{[4-(4-morpholinylcarbonyl)phényl]amino}-9H-purin-2-yl)phényl]-4-(2-méthyl-2-propanyl)benzamide [French] [ACD/IUPAC Name]
2P5

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: 1.686
Molar Refractivity: 171.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2707.40
ACD/KOC (pH 5.5): 9959.61
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2626.61
ACD/KOC (pH 7.4): 9662.41
Polar Surface Area: 125 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 450.8±3.0 cm3

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