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

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

  • Molecular FormulaC30H29N7O3
  • Average mass535.596 Da
  • Monoisotopic mass535.233215 Da
  • ChemSpider ID76731592

More details:

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

3-Methoxy-4-({8-methyl-9-[4-(1-propyl-1H-pyrazol-4-yl)phenyl]-6,8-dihydro-5H-pyrazolo[3,4-h]chinazolin-2-yl}amino)benzoesäure [German] [ACD/IUPAC Name]
3-Methoxy-4-({8-methyl-9-[4-(1-propyl-1H-pyrazol-4-yl)phenyl]-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-yl}amino)benzoic acid [ACD/IUPAC Name]
Acide 3-méthoxy-4-({8-méthyl-9-[4-(1-propyl-1H-pyrazol-4-yl)phényl]-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-yl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[6,8-dihydro-8-methyl-9-[4-(1-propyl-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: 838.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.7±3.0 kJ/mol
Flash Point: 460.7±37.1 °C
Index of Refraction: 1.710
Molar Refractivity: 151.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 668.45
ACD/KOC (pH 5.5): 1635.16
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 16.92
ACD/KOC (pH 7.4): 41.38
Polar Surface Area: 120 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 387.2±7.0 cm3

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