ChemSpider 2D Image | 1-(3-Chlorophenyl)-6-(methoxymethyl)-3-methyl-4-[4-(phenylsulfonyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidine | C24H25ClN6O3S

1-(3-Chlorophenyl)-6-(methoxymethyl)-3-methyl-4-[4-(phenylsulfonyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC24H25ClN6O3S
  • Average mass513.012 Da
  • Monoisotopic mass512.139709 Da
  • ChemSpider ID22687728

More details:

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

1-(3-Chlorophenyl)-6-(methoxymethyl)-3-methyl-4-[4-(phenylsulfonyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
1-(3-Chlorophényl)-6-(méthoxyméthyl)-3-méthyl-4-[4-(phénylsulfonyl)-1-pipérazinyl]-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
1-(3-Chlorphenyl)-6-(methoxymethyl)-3-methyl-4-[4-(phenylsulfonyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidine, 1-(3-chlorophenyl)-6-(methoxymethyl)-3-methyl-4-[4-(phenylsulfonyl)-1-piperazinyl]- [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: 607.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 321.3±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 201.43
ACD/KOC (pH 5.5): 1510.57
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 221.30
ACD/KOC (pH 7.4): 1659.55
Polar Surface Area: 102 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 356.8±7.0 cm3

Click to predict properties on the Chemicalize site


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