ChemSpider 2D Image | N~2~-{[4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4,4a,7-tetrahydroimidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl}-N,N,N~2~-trimethyl-D-alaninamide | C23H34N6O5S

N2-{[4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4,4a,7-tetrahydroimidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl}-N,N,N2-trimethyl-D-alaninamide

  • Molecular FormulaC23H34N6O5S
  • Average mass506.618 Da
  • Monoisotopic mass506.231140 Da
  • ChemSpider ID9759030

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

N2-{[4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4,4a,7-tetrahydroimidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl}-N,N,N2-trimethyl-D-alaninamid [German] [ACD/IUPAC Name]
N2-{[4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4,4a,7-tetrahydroimidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl}-N,N,N2-trimethyl-D-alaninamide [ACD/IUPAC Name]
N2-{[4-Éthoxy-3-(5-méthyl-4-oxo-7-propyl-1,4,4a,7-tétrahydroimidazo[5,1-f][1,2,4]triazin-2-yl)phényl]sulfonyl}-N,N,N2-triméthyl-D-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-[[[4-ethoxy-3-(1,4,4a,7-tetrahydro-5-methyl-4-oxo-7-propylimidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl]methylamino]-N,N-dimethyl-, (2R)- [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: 654.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.5±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 133.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 10.15
ACD/KOC (pH 5.5): 99.50
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 78.46
ACD/KOC (pH 7.4): 768.79
Polar Surface Area: 132 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 378.6±7.0 cm3

Click to predict properties on the Chemicalize site


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