ChemSpider 2D Image | 3-{1-[1,3-Diethyl-2-oxo-8-(1-piperazinyl)-2,3-dihydro-1H-imidazo[4,5-g]phthalazin-5-yl]-4-piperidinyl}-1,6-dimethyl-2,4(1H,3H)-quinazolinedione | C32H39N9O3

3-{1-[1,3-Diethyl-2-oxo-8-(1-piperazinyl)-2,3-dihydro-1H-imidazo[4,5-g]phthalazin-5-yl]-4-piperidinyl}-1,6-dimethyl-2,4(1H,3H)-quinazolinedione

  • Molecular FormulaC32H39N9O3
  • Average mass597.711 Da
  • Monoisotopic mass597.317566 Da
  • ChemSpider ID8005857

More details:

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

2,4(1H,3H)-Quinazolinedione, 3-[1-[1,3-diethyl-2,3-dihydro-2-oxo-8-(1-piperazinyl)-1H-imidazo[4,5-g]phthalazin-5-yl]-4-piperidinyl]-1,6-dimethyl- [ACD/Index Name]
3-{1-[1,3-Diéthyl-2-oxo-8-(1-pipérazinyl)-2,3-dihydro-1H-imidazo[4,5-g]phtalazin-5-yl]-4-pipéridinyl}-1,6-diméthyl-2,4(1H,3H)-quinazolinedione [French] [ACD/IUPAC Name]
3-{1-[1,3-Diethyl-2-oxo-8-(1-piperazinyl)-2,3-dihydro-1H-imidazo[4,5-g]phthalazin-5-yl]-4-piperidinyl}-1,6-dimethyl-2,4(1H,3H)-chinazolindion [German] [ACD/IUPAC Name]
3-{1-[1,3-Diethyl-2-oxo-8-(1-piperazinyl)-2,3-dihydro-1H-imidazo[4,5-g]phthalazin-5-yl]-4-piperidinyl}-1,6-dimethyl-2,4(1H,3H)-quinazolinedione [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 843.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 463.9±37.1 °C
Index of Refraction: 1.652
Molar Refractivity: 166.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.88
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.71
Polar Surface Area: 108 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 454.7±3.0 cm3

Click to predict properties on the Chemicalize site


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