ChemSpider 2D Image | 4-({9-[4-(1-Isopropyl-1H-pyrazol-4-yl)phenyl]-8-methyl-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-yl}amino)-3-methoxybenzoic acid | C30H29N7O3

4-({9-[4-(1-Isopropyl-1H-pyrazol-4-yl)phenyl]-8-methyl-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-yl}amino)-3-methoxybenzoic acid

  • Molecular FormulaC30H29N7O3
  • Average mass535.596 Da
  • Monoisotopic mass535.233215 Da
  • ChemSpider ID76812176

More details:

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

4-({9-[4-(1-Isopropyl-1H-pyrazol-4-yl)phenyl]-8-methyl-6,8-dihydro-5H-pyrazolo[3,4-h]chinazolin-2-yl}amino)-3-methoxybenzoesäure [German] [ACD/IUPAC Name]
4-({9-[4-(1-Isopropyl-1H-pyrazol-4-yl)phenyl]-8-methyl-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-yl}amino)-3-methoxybenzoic acid [ACD/IUPAC Name]
Acide 4-({9-[4-(1-isopropyl-1H-pyrazol-4-yl)phényl]-8-méthyl-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-yl}amino)-3-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[6,8-dihydro-8-methyl-9-[4-[1-(1-methylethyl)-1H-pyrazol-4-yl]phenyl]-5H-pyrazolo[3,4-h]quinazolin-2-yl]amino]-3-methoxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 827.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.1±3.0 kJ/mol
Flash Point: 454.5±37.1 °C
Index of Refraction: 1.711
Molar Refractivity: 151.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 643.22
ACD/KOC (pH 5.5): 1590.71
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 16.28
ACD/KOC (pH 7.4): 40.25
Polar Surface Area: 120 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 386.3±7.0 cm3

Click to predict properties on the Chemicalize site


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