ChemSpider 2D Image | 4-Ethoxy-N-ethyl-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(11-methyl-1-phenyl-2,5,8-trioxa-11-azatridecan-13-yl)benzenesulfonamide | C35H50N6O7S

4-Ethoxy-N-ethyl-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(11-methyl-1-phenyl-2,5,8-trioxa-11-azatridecan-13-yl)benzenesulfonamide

  • Molecular FormulaC35H50N6O7S
  • Average mass698.872 Da
  • Monoisotopic mass698.346191 Da
  • ChemSpider ID20562528

More details:

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

4-Ethoxy-N-ethyl-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(11-methyl-1-phenyl-2,5,8-trioxa-11-azatridecan-13-yl)benzenesulfonamide [ACD/IUPAC Name]
4-Éthoxy-N-éthyl-3-(1-méthyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(11-méthyl-1-phényl-2,5,8-trioxa-11-azatridécan-13-yl)benzènesulfonamide [French] [ACD/IUPAC Name]
4-Ethoxy-N-ethyl-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(11-methyl-1-phenyl-2,5,8-trioxa-11-azatridecan-13-yl)benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N-ethyl-N-(3-methyl-13-phenyl-6,9,12-trioxa-3-azatridec-1-yl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 809.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 443.1±37.1 °C
Index of Refraction: 1.586
Molar Refractivity: 189.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 4.34
ACD/KOC (pH 5.5): 24.86
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 201.30
ACD/KOC (pH 7.4): 1154.61
Polar Surface Area: 145 Å2
Polarizability: 75.3±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 566.2±7.0 cm3

Click to predict properties on the Chemicalize site


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