ChemSpider 2D Image | (R)-(3-(3-Cyanophenyl)-1-Oxo-1-(Pyrrolidin-1-Yl)propan-2-Yl)-1,2,3,4-Tetrahydroisoquinoline-6-Sulfonamide | C23H26N4O3S

(R)-(3-(3-Cyanophenyl)-1-Oxo-1-(Pyrrolidin-1-Yl)propan-2-Yl)-1,2,3,4-Tetrahydroisoquinoline-6-Sulfonamide

  • Molecular FormulaC23H26N4O3S
  • Average mass438.543 Da
  • Monoisotopic mass438.172546 Da
  • ChemSpider ID35033409

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-(3-(3-Cyanophenyl)-1-Oxo-1-(Pyrrolidin-1-Yl)propan-2-Yl)-1,2,3,4-Tetrahydroisoquinoline-6-Sulfonamide
6-Isoquinolinesulfonamide, N-[(1R)-1-[(3-cyanophenyl)methyl]-2-oxo-2-(1-pyrrolidinyl)ethyl]-1,2,3,4-tetrahydro- [ACD/Index Name]
N-[(2R)-3-(3-Cyanophényl)-1-oxo-1-(1-pyrrolidinyl)-2-propanyl]-1,2,3,4-tétrahydro-6-isoquinoléinesulfonamide [French] [ACD/IUPAC Name]
N-[(2R)-3-(3-Cyanophenyl)-1-oxo-1-(1-pyrrolidinyl)-2-propanyl]-1,2,3,4-tetrahydro-6-isoquinolinesulfonamide [ACD/IUPAC Name]
N-[(2R)-3-(3-Cyanphenyl)-1-oxo-1-(1-pyrrolidinyl)-2-propanyl]-1,2,3,4-tetrahydro-6-isochinolinsulfonamid [German] [ACD/IUPAC Name]
0N6

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

Density: 1.4±0.1 g/cm3
Boiling Point: 699.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.6±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 118.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 2.22
ACD/KOC (pH 7.4): 31.73
Polar Surface Area: 111 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 322.4±5.0 cm3

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