ChemSpider 2D Image | N-[(2R)-3-(3-Cyanophenyl)-1-oxo-1-(1-pyrrolidinyl)-2-propanyl]-8-fluoro-1,2,3,4-tetrahydro-6-isoquinolinesulfonamide | C23H25FN4O3S

N-[(2R)-3-(3-Cyanophenyl)-1-oxo-1-(1-pyrrolidinyl)-2-propanyl]-8-fluoro-1,2,3,4-tetrahydro-6-isoquinolinesulfonamide

  • Molecular FormulaC23H25FN4O3S
  • Average mass456.533 Da
  • Monoisotopic mass456.163147 Da
  • ChemSpider ID35033669

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6-Isoquinolinesulfonamide, N-[(1R)-1-[(3-cyanophenyl)methyl]-2-oxo-2-(1-pyrrolidinyl)ethyl]-8-fluoro-1,2,3,4-tetrahydro- [ACD/Index Name]
N-[(2R)-3-(3-Cyanophényl)-1-oxo-1-(1-pyrrolidinyl)-2-propanyl]-8-fluoro-1,2,3,4-tétrahydro-6-isoquinoléinesulfonamide [French] [ACD/IUPAC Name]
N-[(2R)-3-(3-Cyanophenyl)-1-oxo-1-(1-pyrrolidinyl)-2-propanyl]-8-fluoro-1,2,3,4-tetrahydro-6-isoquinolinesulfonamide [ACD/IUPAC Name]
N-[(2r)-3-(3-Cyanophenyl)-1-Oxo-1-(Pyrrolidin-1-Yl)propan-2-Yl]-8-Fluoro-1,2,3,4-Tetrahydroisoquinoline-6-Sulfonamide
N-[(2R)-3-(3-Cyanphenyl)-1-oxo-1-(1-pyrrolidinyl)-2-propanyl]-8-fluor-1,2,3,4-tetrahydro-6-isochinolinsulfonamid [German] [ACD/IUPAC Name]
1L4

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

Density: 1.4±0.1 g/cm3
Boiling Point: 700.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.3±35.7 °C
Index of Refraction: 1.645
Molar Refractivity: 118.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.69
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 6.06
ACD/KOC (pH 7.4): 68.52
Polar Surface Area: 111 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 326.9±5.0 cm3

Click to predict properties on the Chemicalize site


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