ChemSpider 2D Image | 3-{6-[(3-Chlorobenzyl)oxy]-2-naphthyl}-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C25H22ClN5O

3-{6-[(3-Chlorobenzyl)oxy]-2-naphthyl}-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC25H22ClN5O
  • Average mass443.928 Da
  • Monoisotopic mass443.151276 Da
  • ChemSpider ID28516459

More details:

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

1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-[6-[(3-chlorophenyl)methoxy]-2-naphthalenyl]-1-(1-methylethyl)- [ACD/Index Name]
3-{6-[(3-Chlorbenzyl)oxy]-2-naphthyl}-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
3-{6-[(3-Chlorobenzyl)oxy]-2-naphthyl}-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
3-{6-[(3-Chlorobenzyl)oxy]-2-naphtyl}-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
3-{6-[(3-Chlorobenzyl)oxy]naphthalen-2-Yl}-1-(Propan-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
1320266-38-3 [RN]
3-(6-(3-Chlorobenzyloxy)naphthalen-2-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
I76

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

Density: 1.4±0.1 g/cm3
Boiling Point: 661.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.1±30.1 °C
Index of Refraction: 1.692
Molar Refractivity: 125.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7543.23
ACD/KOC (pH 5.5): 20476.55
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7907.01
ACD/KOC (pH 7.4): 21464.05
Polar Surface Area: 79 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 327.9±7.0 cm3

Click to predict properties on the Chemicalize site


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