ChemSpider 2D Image | 2-Oxo-N-[4-(4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-2H-chromene-3-carboxamide | C21H13N5O4

2-Oxo-N-[4-(4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-2H-chromene-3-carboxamide

  • Molecular FormulaC21H13N5O4
  • Average mass399.359 Da
  • Monoisotopic mass399.096741 Da
  • ChemSpider ID29992819

More details:

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

2H-1-Benzopyran-3-carboxamide, N-[4-(4,5-dihydro-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-2-oxo- [ACD/Index Name]
2-Oxo-N-[4-(4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-2H-chromen-3-carboxamid [German] [ACD/IUPAC Name]
2-Oxo-N-[4-(4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-2H-chromene-3-carboxamide [ACD/IUPAC Name]
2-Oxo-N-[4-(4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phényl]-2H-chromène-3-carboxamide [French] [ACD/IUPAC 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: 792.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 433.2±32.9 °C
Index of Refraction: 1.774
Molar Refractivity: 106.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.44
ACD/KOC (pH 5.5): 101.10
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.22
ACD/KOC (pH 7.4): 96.18
Polar Surface Area: 115 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 70.2±7.0 dyne/cm
Molar Volume: 255.8±7.0 cm3

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