ChemSpider 2D Image | 1-Isopropyl-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-nitro-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6(2H,5H)-dione | C17H18N4O7

1-Isopropyl-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-nitro-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6(2H,5H)-dione

  • Molecular FormulaC17H18N4O7
  • Average mass390.347 Da
  • Monoisotopic mass390.117554 Da
  • ChemSpider ID28635626

More details:

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

1H-Pyrazolo[3,4-b]pyridine-3,6(2H,5H)-dione, 4,7-dihydro-4-(7-methoxy-1,3-benzodioxol-5-yl)-1-(1-methylethyl)-5-nitro- [ACD/Index Name]
1-Isopropyl-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-nitro-4,7-dihydro-1H-pyrazolo[3,4-b]pyridin-3,6(2H,5H)-dion [German] [ACD/IUPAC Name]
1-Isopropyl-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-nitro-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6(2H,5H)-dione [ACD/IUPAC Name]
1-Isopropyl-4-(7-méthoxy-1,3-benzodioxol-5-yl)-5-nitro-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6(2H,5H)-dione [French] [ACD/IUPAC Name]
4-(7-methoxy-1,3-benzodioxol-5-yl)-5-nitro-1-(propan-2-yl)-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6(2H,5H)-dione

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: 1.662
Molar Refractivity: 93.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.84
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.20
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 253.1±5.0 cm3

Click to predict properties on the Chemicalize site


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