ChemSpider 2D Image | 6-Ethyl-5-[1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydro-7-quinolinyl]-2,4-pyrimidinediamine | C25H31N5O

6-Ethyl-5-[1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydro-7-quinolinyl]-2,4-pyrimidinediamine

  • Molecular FormulaC25H31N5O
  • Average mass417.547 Da
  • Monoisotopic mass417.252869 Da
  • ChemSpider ID22377533

More details:

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

2,4-Pyrimidinediamine, 6-ethyl-5-[1,2,3,4-tetrahydro-1-(3-methoxypropyl)-2-phenyl-7-quinolinyl]- [ACD/Index Name]
6-Ethyl-5-[1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydro-7-chinolinyl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
6-Éthyl-5-[1-(3-méthoxypropyl)-2-phényl-1,2,3,4-tétrahydro-7-quinoléinyl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
6-Ethyl-5-[1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydro-7-quinolinyl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
diaminopyrimidine renin inhibitor compound, 3

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

Density: 1.2±0.1 g/cm3
Boiling Point: 678.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.1±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 125.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 28.13
ACD/KOC (pH 5.5): 105.25
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 996.82
ACD/KOC (pH 7.4): 3730.09
Polar Surface Area: 90 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 357.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement