ChemSpider 2D Image | Dimethyl N-({2-[(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]hydrazino}carbonothioyl)glutamate | C16H21N7O6S

Dimethyl N-({2-[(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]hydrazino}carbonothioyl)glutamate

  • Molecular FormulaC16H21N7O6S
  • Average mass439.446 Da
  • Monoisotopic mass439.127411 Da
  • ChemSpider ID102422712

More details:

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

Dimethyl N-({2-[(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]hydrazino}carbonothioyl)glutamate [ACD/IUPAC Name]
Dimethyl-N-({2-[(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]hydrazino}carbonothioyl)glutamat [German] [ACD/IUPAC Name]
Glutamic acid, N-[[2-[2-(1,4-dihydro-1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]hydrazinyl]thioxomethyl]-, dimethyl ester [ACD/Index Name]
N-({2-[2-(1-Méthyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acétyl]hydrazino}carbonothioyl)glutamate de diméthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 107.3±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.27
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.79
Polar Surface Area: 188 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 286.3±7.0 cm3

Click to predict properties on the Chemicalize site


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