ChemSpider 2D Image | Ethyl 2-({5-[(7-chloro-4-quinolinyl)amino]-4-methylpentyl}amino)-4-methyl-6-phenyl-5-pyrimidinecarboxylate | C29H32ClN5O2

Ethyl 2-({5-[(7-chloro-4-quinolinyl)amino]-4-methylpentyl}amino)-4-methyl-6-phenyl-5-pyrimidinecarboxylate

  • Molecular FormulaC29H32ClN5O2
  • Average mass518.050 Da
  • Monoisotopic mass517.224426 Da
  • ChemSpider ID28525254

More details:

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

2-({5-[(7-Chloro-4-quinoléinyl)amino]-4-méthylpentyl}amino)-4-méthyl-6-phényl-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 2-[[5-[(7-chloro-4-quinolinyl)amino]-4-methylpentyl]amino]-4-methyl-6-phenyl-, ethyl ester [ACD/Index Name]
Ethyl 2-({5-[(7-chloro-4-quinolinyl)amino]-4-methylpentyl}amino)-4-methyl-6-phenyl-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-2-({5-[(7-chlor-4-chinolinyl)amino]-4-methylpentyl}amino)-4-methyl-6-phenyl-5-pyrimidincarboxylat [German] [ACD/IUPAC 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: 719.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.7±35.7 °C
Index of Refraction: 1.643
Molar Refractivity: 151.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 6579.52
ACD/KOC (pH 5.5): 9878.91
ACD/LogD (pH 7.4): 6.58
ACD/BCF (pH 7.4): 57163.36
ACD/KOC (pH 7.4): 85828.77
Polar Surface Area: 89 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 417.3±3.0 cm3

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