ChemSpider 2D Image | 1-Methyl-8-[(1-{[1-(methylsulfonyl)-4-piperidinyl]carbonyl}-4-piperidinyl)amino]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide | C23H32N8O4S

1-Methyl-8-[(1-{[1-(methylsulfonyl)-4-piperidinyl]carbonyl}-4-piperidinyl)amino]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide

  • Molecular FormulaC23H32N8O4S
  • Average mass516.616 Da
  • Monoisotopic mass516.226746 Da
  • ChemSpider ID24649988

More details:

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

1H-Pyrazolo[4,3-h]quinazoline-3-carboxamide, 4,5-dihydro-1-methyl-8-[[1-[[1-(methylsulfonyl)-4-piperidinyl]carbonyl]-4-piperidinyl]amino]- [ACD/Index Name]
1-Methyl-8-[(1-{[1-(methylsulfonyl)-4-piperidinyl]carbonyl}-4-piperidinyl)amino]-4,5-dihydro-1H-pyrazolo[4,3-h]chinazolin-3-carboxamid [German] [ACD/IUPAC Name]
1-Methyl-8-[(1-{[1-(methylsulfonyl)-4-piperidinyl]carbonyl}-4-piperidinyl)amino]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide [ACD/IUPAC Name]
1-Méthyl-8-[(1-{[1-(méthylsulfonyl)-4-pipéridinyl]carbonyl}-4-pipéridinyl)amino]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-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: 831.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 456.4±37.1 °C
Index of Refraction: 1.767
Molar Refractivity: 132.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.59
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.14
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.45
Polar Surface Area: 165 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 71.9±7.0 dyne/cm
Molar Volume: 320.9±7.0 cm3

Click to predict properties on the Chemicalize site


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