ChemSpider 2D Image | 1,5,7-Trimethyl-N-{4-[(4-methyl-3-{[4-(4-pyridinyl)-2-pyrimidinyl]amino}phenyl)carbamoyl]benzyl}-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide | C36H37N7O4

1,5,7-Trimethyl-N-{4-[(4-methyl-3-{[4-(4-pyridinyl)-2-pyrimidinyl]amino}phenyl)carbamoyl]benzyl}-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

  • Molecular FormulaC36H37N7O4
  • Average mass631.724 Da
  • Monoisotopic mass631.290710 Da
  • ChemSpider ID8230346

More details:

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

1,5,7-Trimethyl-N-{4-[(4-methyl-3-{[4-(4-pyridinyl)-2-pyrimidinyl]amino}phenyl)carbamoyl]benzyl}-2,4-dioxo-3-azabicyclo[3.3.1]nonan-7-carboxamid [German] [ACD/IUPAC Name]
1,5,7-Trimethyl-N-{4-[(4-methyl-3-{[4-(4-pyridinyl)-2-pyrimidinyl]amino}phenyl)carbamoyl]benzyl}-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide [ACD/IUPAC Name]
1,5,7-Triméthyl-N-{4-[(4-méthyl-3-{[4-(4-pyridinyl)-2-pyrimidinyl]amino}phényl)carbamoyl]benzyl}-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide [French] [ACD/IUPAC Name]
3-Azabicyclo[3.3.1]nonane-7-carboxamide, 1,5,7-trimethyl-N-[[4-[[[4-methyl-3-[[4-(4-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]-2,4-dioxo- [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: 1.653
Molar Refractivity: 177.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1328.70
ACD/KOC (pH 5.5): 5984.85
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1328.76
ACD/KOC (pH 7.4): 5985.12
Polar Surface Area: 155 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 484.5±3.0 cm3

Click to predict properties on the Chemicalize site


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