ChemSpider 2D Image | N-(3,4-Dimethoxyphenyl)-2-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide | C19H21N5O6S

N-(3,4-Dimethoxyphenyl)-2-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide

  • Molecular FormulaC19H21N5O6S
  • Average mass447.465 Da
  • Monoisotopic mass447.121246 Da
  • ChemSpider ID22341776

More details:

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

5H-Pyrazolo[3,4-d]pyrimidine-5-acetamide, N-(3,4-dimethoxyphenyl)-1,4-dihydro-4-oxo-1-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
N-(3,4-Dimethoxyphenyl)-2-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamid [German] [ACD/IUPAC Name]
N-(3,4-Dimethoxyphenyl)-2-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide [ACD/IUPAC Name]
N-(3,4-Diméthoxyphényl)-2-[1-(1,1-dioxydotétrahydro-3-thiophényl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acétamide [French] [ACD/IUPAC Name]
1040645-57-5 [RN]
MFCD12009866
N-(3,4-dimethoxyphenyl)-2-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamide
N-(3,4-dimethoxyphenyl)-2-[1-(1,1-dioxo-1λ6-thiolan-3-yl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide
N-(3,4-dimethoxyphenyl)-2-[1-(1,1-dioxothiolan-3-yl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.703
Molar Refractivity: 110.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.66
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.66
Polar Surface Area: 141 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 65.0±7.0 dyne/cm
Molar Volume: 286.0±7.0 cm3

Click to predict properties on the Chemicalize site


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