ChemSpider 2D Image | (2Z)-N-{2-[6-(Ethylsulfanyl)-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-3-(3,4,5-trimethoxyphenyl)acrylamide | C25H32N6O5S

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

  • Molecular FormulaC25H32N6O5S
  • Average mass528.624 Da
  • Monoisotopic mass528.215515 Da
  • ChemSpider ID21000680

  • 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-(4-morpholinyl)-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-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-3-(3,4,5-trimethoxyphenyl)acrylamide [ACD/IUPAC Name]
(2Z)-N-{2-[6-(Éthylsulfanyl)-4-(4-morpholinyl)-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-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)-, (2Z)- [ACD/Index Name]
(Z)-N-(2-(6-(ethylthio)-4-morpholino-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: 1.633
Molar Refractivity: 141.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.34
ACD/KOC (pH 5.5): 218.34
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.21
ACD/KOC (pH 7.4): 232.55
Polar Surface Area: 138 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 395.1±7.0 cm3

Click to predict properties on the Chemicalize site


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