ChemSpider 2D Image | [4-(7,8-Dihydro[1,4]dioxino[2,3-g]quinazolin-4-yl)-1-piperazinyl](1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)methanone | C20H21N7O5

[4-(7,8-Dihydro[1,4]dioxino[2,3-g]quinazolin-4-yl)-1-piperazinyl](1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)methanone

  • Molecular FormulaC20H21N7O5
  • Average mass439.425 Da
  • Monoisotopic mass439.160431 Da
  • ChemSpider ID21839662

More details:

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

[4-(7,8-Dihydro[1,4]dioxino[2,3-g]chinazolin-4-yl)-1-piperazinyl](1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)methanon [German] [ACD/IUPAC Name]
[4-(7,8-Dihydro[1,4]dioxino[2,3-g]quinazolin-4-yl)-1-piperazinyl](1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)methanone [ACD/IUPAC Name]
[4-(7,8-Dihydro[1,4]dioxino[2,3-g]quinazolin-4-yl)-1-pipérazinyl](1,3-diméthyl-4-nitro-1H-pyrazol-5-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(7,8-dihydro[1,4]dioxino[2,3-g]quinazolin-4-yl)-1-piperazinyl](1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)- [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: 718.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 388.2±32.9 °C
Index of Refraction: 1.760
Molar Refractivity: 111.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.98
ACD/LogD (pH 5.5): -2.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.14
Polar Surface Area: 131 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 70.6±7.0 dyne/cm
Molar Volume: 272.1±7.0 cm3

Click to predict properties on the Chemicalize site


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