ChemSpider 2D Image | (4S,7R)-2-Amino-4-[4-(benzyloxy)-3-methoxyphenyl]-1-(dimethylamino)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile | C32H32N4O3

(4S,7R)-2-Amino-4-[4-(benzyloxy)-3-methoxyphenyl]-1-(dimethylamino)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

  • Molecular FormulaC32H32N4O3
  • Average mass520.622 Da
  • Monoisotopic mass520.247437 Da
  • ChemSpider ID62466403

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,7R)-2-Amino-4-[4-(benzyloxy)-3-methoxyphenyl]-1-(dimethylamino)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-chinolincarbonitril [German] [ACD/IUPAC Name]
(4S,7R)-2-Amino-4-[4-(benzyloxy)-3-méthoxyphényl]-1-(diméthylamino)-5-oxo-7-phényl-1,4,5,6,7,8-hexahydro-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
(4S,7R)-2-Amino-4-[4-(benzyloxy)-3-methoxyphenyl]-1-(dimethylamino)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile [ACD/IUPAC Name]
3-Quinolinecarbonitrile, 2-amino-1-(dimethylamino)-1,4,5,6,7,8-hexahydro-4-[3-methoxy-4-(phenylmethoxy)phenyl]-5-oxo-7-phenyl-, (4S,7R)- [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: 715.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 386.4±35.7 °C
Index of Refraction: 1.669
Molar Refractivity: 150.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 2797.18
ACD/KOC (pH 5.5): 9166.89
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4054.63
ACD/KOC (pH 7.4): 13287.79
Polar Surface Area: 92 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 404.1±5.0 cm3

Click to predict properties on the Chemicalize site


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