ChemSpider 2D Image | CSID:28632839 | C21H13N5O4

  • Molecular FormulaC21H13N5O4
  • Average mass399.359 Da
  • Monoisotopic mass399.096741 Da
  • ChemSpider ID28632839

More details:

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

7-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridinyl)pyrazolo[3,4-b]pyrrolo[3,4-d]pyridin-6,8(3H,7H)-dion [German] [ACD/IUPAC Name]
7-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridinyl)pyrazolo[3,4-b]pyrrolo[3,4-d]pyridine-6,8(3H,7H)-dione [ACD/IUPAC Name]
7-(2,3-Dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridinyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 733.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 397.3±35.7 °C
Index of Refraction: 1.759
Molar Refractivity: 104.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.82
ACD/KOC (pH 5.5): 48.15
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.63
Polar Surface Area: 110 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 88.3±3.0 dyne/cm
Molar Volume: 253.1±3.0 cm3

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