ChemSpider 2D Image | 2-{[1-Ethyl-3-methyl-6-(4-methylbenzyl)-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(3-fluorophenyl)acetamide | C24H24FN5O2S

2-{[1-Ethyl-3-methyl-6-(4-methylbenzyl)-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(3-fluorophenyl)acetamide

  • Molecular FormulaC24H24FN5O2S
  • Average mass465.543 Da
  • Monoisotopic mass465.163483 Da
  • ChemSpider ID28978635

More details:

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

2-{[1-Ethyl-3-methyl-6-(4-methylbenzyl)-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(3-fluorophenyl)acetamide [ACD/IUPAC Name]
2-{[1-Éthyl-3-méthyl-6-(4-méthylbenzyl)-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(3-fluorophényl)acétamide [French] [ACD/IUPAC Name]
2-{[1-Ethyl-3-methyl-6-(4-methylbenzyl)-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(3-fluorphenyl)acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[[1-ethyl-6,7-dihydro-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-5-yl]thio]-N-(3-fluorophenyl)- [ACD/Index Name]
1358629-22-7 [RN]
2-((1-ethyl-3-methyl-6-(4-methylbenzyl)-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thio)-N-(3-fluorophenyl)acetamide
2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-fluorophenyl)acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 128.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 289.61
ACD/KOC (pH 5.5): 2012.66
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 289.61
ACD/KOC (pH 7.4): 2012.64
Polar Surface Area: 105 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 349.6±7.0 cm3

Click to predict properties on the Chemicalize site


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