ChemSpider 2D Image | 7-(1,3-Benzodioxol-5-yl)-3-methyl-1-(4-pyridinyl)pyrazolo[3,4-b]pyrrolo[3,4-d]pyridine-6,8(3H,7H)-dione | C21H13N5O4

7-(1,3-Benzodioxol-5-yl)-3-methyl-1-(4-pyridinyl)pyrazolo[3,4-b]pyrrolo[3,4-d]pyridine-6,8(3H,7H)-dione

  • Molecular FormulaC21H13N5O4
  • Average mass399.359 Da
  • Monoisotopic mass399.096741 Da
  • ChemSpider ID28633067

More details:

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

7-(1,3-Benzodioxol-5-yl)-3-methyl-1-(4-pyridinyl)pyrazolo[3,4-b]pyrrolo[3,4-d]pyridin-6,8(3H,7H)-dion [German] [ACD/IUPAC Name]
7-(1,3-Benzodioxol-5-yl)-3-methyl-1-(4-pyridinyl)pyrazolo[3,4-b]pyrrolo[3,4-d]pyridine-6,8(3H,7H)-dione [ACD/IUPAC Name]
7-(1,3-Benzodioxol-5-yl)-3-méthyl-1-(4-pyridinyl)pyrazolo[3,4-b]pyrrolo[3,4-d]pyridine-6,8(3H,7H)-dione [French] [ACD/IUPAC Name]
Pyrazolo[3,4-b]pyrrolo[3,4-d]pyridine-6,8(3H,7H)-dione, 7-(1,3-benzodioxol-5-yl)-3-methyl-1-(4-pyridinyl)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 689.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 371.1±34.3 °C
Index of Refraction: 1.822
Molar Refractivity: 105.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.75
ACD/KOC (pH 5.5): 89.60
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.75
ACD/KOC (pH 7.4): 89.63
Polar Surface Area: 99 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 72.8±7.0 dyne/cm
Molar Volume: 241.7±7.0 cm3

Click to predict properties on the Chemicalize site


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