ChemSpider 2D Image | 1-{[(2S,3S,4R)-3-Ethyl-4-fluoro-5-oxo-2-pyrrolidinyl]methoxy}-7-methoxy-6-isoquinolinecarboxamide | C18H20FN3O4

1-{[(2S,3S,4R)-3-Ethyl-4-fluoro-5-oxo-2-pyrrolidinyl]methoxy}-7-methoxy-6-isoquinolinecarboxamide

  • Molecular FormulaC18H20FN3O4
  • Average mass361.367 Da
  • Monoisotopic mass361.143799 Da
  • ChemSpider ID76783787

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-{[(2S,3S,4R)-3-Ethyl-4-fluor-5-oxo-2-pyrrolidinyl]methoxy}-7-methoxy-6-isochinolincarboxamid [German] [ACD/IUPAC Name]
1-{[(2S,3S,4R)-3-Éthyl-4-fluoro-5-oxo-2-pyrrolidinyl]méthoxy}-7-méthoxy-6-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
1-{[(2S,3S,4R)-3-Ethyl-4-fluoro-5-oxo-2-pyrrolidinyl]methoxy}-7-methoxy-6-isoquinolinecarboxamide [ACD/IUPAC Name]
6-Isoquinolinecarboxamide, 1-[[(2S,3S,4R)-3-ethyl-4-fluoro-5-oxo-2-pyrrolidinyl]methoxy]-7-methoxy- [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: 621.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.4±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 92.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.19
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.83
ACD/KOC (pH 5.5): 53.55
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.83
ACD/KOC (pH 7.4): 53.57
Polar Surface Area: 104 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 268.6±5.0 cm3

Click to predict properties on the Chemicalize site


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