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

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

  • Molecular FormulaC24H24FN5O2S
  • Average mass465.543 Da
  • Monoisotopic mass465.163483 Da
  • ChemSpider ID28978553

More details:

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

2-{[1-Ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(4-fluorophenyl)acetamide [ACD/IUPAC Name]
2-{[1-Éthyl-3-méthyl-7-oxo-6-(2-phényléthyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(4-fluorophényl)acétamide [French] [ACD/IUPAC Name]
2-{[1-Ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(4-fluorphenyl)acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[[1-ethyl-6,7-dihydro-3-methyl-7-oxo-6-(2-phenylethyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]thio]-N-(4-fluorophenyl)- [ACD/Index Name]
1358372-45-8 [RN]
2-((1-ethyl-3-methyl-7-oxo-6-phenethyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thio)-N-(4-fluorophenyl)acetamide
2-[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide
2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
MFCD05827187

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: 1.658
Molar Refractivity: 129.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 193.81
ACD/KOC (pH 5.5): 1509.78
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 193.81
ACD/KOC (pH 7.4): 1509.77
Polar Surface Area: 105 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 350.5±7.0 cm3

Click to predict properties on the Chemicalize site


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