ChemSpider 2D Image | 5-[(2,5-Dimethylbenzyl)sulfanyl]-1-ethyl-3-methyl-6-(4-methylbenzyl)-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one | C25H28N4OS

5-[(2,5-Dimethylbenzyl)sulfanyl]-1-ethyl-3-methyl-6-(4-methylbenzyl)-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

  • Molecular FormulaC25H28N4OS
  • Average mass432.581 Da
  • Monoisotopic mass432.198395 Da
  • ChemSpider ID28978649

More details:

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

5-[(2,5-Dimethylbenzyl)sulfanyl]-1-ethyl-3-methyl-6-(4-methylbenzyl)-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-on [German] [ACD/IUPAC Name]
5-[(2,5-Dimethylbenzyl)sulfanyl]-1-ethyl-3-methyl-6-(4-methylbenzyl)-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one [ACD/IUPAC Name]
5-[(2,5-Diméthylbenzyl)sulfanyl]-1-éthyl-3-méthyl-6-(4-méthylbenzyl)-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[[(2,5-dimethylphenyl)methyl]thio]-1-ethyl-1,6-dihydro-3-methyl-6-[(4-methylphenyl)methyl]- [ACD/Index Name]
1358629-30-7 [RN]
5-((2,5-dimethylbenzyl)thio)-1-ethyl-3-methyl-6-(4-methylbenzyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 624.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.4±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 129.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 8772.87
ACD/KOC (pH 5.5): 23125.49
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8772.89
ACD/KOC (pH 7.4): 23125.54
Polar Surface Area: 76 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 359.1±7.0 cm3

Click to predict properties on the Chemicalize site


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