ChemSpider 2D Image | 4,6,7-Trimethyl-2-(4-{[2-(2-methylphenyl)-5-pyrimidinyl]methyl}-1,4-diazepan-1-yl)quinazoline | C28H32N6

4,6,7-Trimethyl-2-(4-{[2-(2-methylphenyl)-5-pyrimidinyl]methyl}-1,4-diazepan-1-yl)quinazoline

  • Molecular FormulaC28H32N6
  • Average mass452.594 Da
  • Monoisotopic mass452.268860 Da
  • ChemSpider ID52614253

More details:

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

4,6,7-Trimethyl-2-(4-{[2-(2-methylphenyl)-5-pyrimidinyl]methyl}-1,4-diazepan-1-yl)chinazolin [German] [ACD/IUPAC Name]
4,6,7-Trimethyl-2-(4-{[2-(2-methylphenyl)-5-pyrimidinyl]methyl}-1,4-diazepan-1-yl)quinazoline [ACD/IUPAC Name]
4,6,7-Triméthyl-2-(4-{[2-(2-méthylphényl)-5-pyrimidinyl]méthyl}-1,4-diazépan-1-yl)quinazoline [French] [ACD/IUPAC Name]
Quinazoline, 2-[hexahydro-4-[[2-(2-methylphenyl)-5-pyrimidinyl]methyl]-1H-1,4-diazepin-1-yl]-4,6,7-trimethyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 594.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.3±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 137.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 47.84
ACD/KOC (pH 5.5): 152.58
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 1885.23
ACD/KOC (pH 7.4): 6012.11
Polar Surface Area: 58 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 386.2±3.0 cm3

Click to predict properties on the Chemicalize site


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