ChemSpider 2D Image | (2Z)-N-(2-{6-(Ethylsulfanyl)-4-[(2-methoxyethyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl)-3-(3,4,5-trimethoxyphenyl)acrylamide | C24H32N6O5S

(2Z)-N-(2-{6-(Ethylsulfanyl)-4-[(2-methoxyethyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl)-3-(3,4,5-trimethoxyphenyl)acrylamide

  • Molecular FormulaC24H32N6O5S
  • Average mass516.613 Da
  • Monoisotopic mass516.215515 Da
  • ChemSpider ID21000091

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-N-(2-{6-(Ethylsulfanyl)-4-[(2-methoxyethyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl)-3-(3,4,5-trimethoxyphenyl)acrylamid [German] [ACD/IUPAC Name]
(2Z)-N-(2-{6-(Ethylsulfanyl)-4-[(2-methoxyethyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl)-3-(3,4,5-trimethoxyphenyl)acrylamide [ACD/IUPAC Name]
(2Z)-N-(2-{6-(Éthylsulfanyl)-4-[(2-méthoxyéthyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}éthyl)-3-(3,4,5-triméthoxyphényl)acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[2-[6-(ethylthio)-4-[(2-methoxyethyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)-, (2Z)- [ACD/Index Name]
(Z)-N-(2-(6-(ethylthio)-4-((2-methoxyethyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-3-(3,4,5-trimethoxyphenyl)acrylamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 138.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.59
ACD/KOC (pH 5.5): 392.46
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.80
ACD/KOC (pH 7.4): 395.24
Polar Surface Area: 147 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 400.6±7.0 cm3

Click to predict properties on the Chemicalize site


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