ChemSpider 2D Image | N-(2-Hydroxyethyl)-N-[2-({methyl[(2E)-3-(3,4,5-trimethylphenyl)-2-propen-1-yl]amino}methyl)phenyl]-5-isoquinolinesulfonamide | C31H35N3O3S

N-(2-Hydroxyethyl)-N-[2-({methyl[(2E)-3-(3,4,5-trimethylphenyl)-2-propen-1-yl]amino}methyl)phenyl]-5-isoquinolinesulfonamide

  • Molecular FormulaC31H35N3O3S
  • Average mass529.693 Da
  • Monoisotopic mass529.239929 Da
  • ChemSpider ID4947503

  • Double-bond stereo - Double-bond stereo

More details:

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

5-Isoquinolinesulfonamide, N-(2-hydroxyethyl)-N-[2-[[methyl[(2E)-3-(3,4,5-trimethylphenyl)-2-propen-1-yl]amino]methyl]phenyl]- [ACD/Index Name]
N-(2-Hydroxyethyl)-N-[2-({methyl[(2E)-3-(3,4,5-trimethylphenyl)-2-propen-1-yl]amino}methyl)phenyl]-5-isochinolinsulfonamid [German] [ACD/IUPAC Name]
N-(2-Hydroxyéthyl)-N-[2-({méthyl[(2E)-3-(3,4,5-triméthylphényl)-2-propén-1-yl]amino}méthyl)phényl]-5-isoquinoléinesulfonamide [French] [ACD/IUPAC Name]
N-(2-Hydroxyethyl)-N-[2-({methyl[(2E)-3-(3,4,5-trimethylphenyl)-2-propen-1-yl]amino}methyl)phenyl]-5-isoquinolinesulfonamide [ACD/IUPAC Name]
159034-84-1 [RN]
2-(N-(Hydroxyethyl)-N-(5-isoquinolinesulfony)amino)-N-(3,4,5-trimethoxycinnamyl)-N-methylbenzylamine

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

Cka 1303 [DBID]
Cka-1303 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 723.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 391.0±35.7 °C
Index of Refraction: 1.646
Molar Refractivity: 155.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 46.00
ACD/KOC (pH 5.5): 162.87
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1665.73
ACD/KOC (pH 7.4): 5897.51
Polar Surface Area: 82 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 429.2±3.0 cm3

Click to predict properties on the Chemicalize site


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