ChemSpider 2D Image | N-(2,4-Difluorophenyl)-2-[3-isobutyl-6-methyl-2-(methylsulfanyl)-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]acetamide | C20H22F2N4O2S

N-(2,4-Difluorophenyl)-2-[3-isobutyl-6-methyl-2-(methylsulfanyl)-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]acetamide

  • Molecular FormulaC20H22F2N4O2S
  • Average mass420.476 Da
  • Monoisotopic mass420.143158 Da
  • ChemSpider ID26032466

More details:

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

5H-Pyrrolo[3,2-d]pyrimidine-5-acetamide, N-(2,4-difluorophenyl)-3,4-dihydro-6-methyl-3-(2-methylpropyl)-2-(methylthio)-4-oxo- [ACD/Index Name]
N-(2,4-Difluorophenyl)-2-[3-isobutyl-6-methyl-2-(methylsulfanyl)-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]acetamide [ACD/IUPAC Name]
N-(2,4-Difluorophényl)-2-[3-isobutyl-6-méthyl-2-(méthylsulfanyl)-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]acétamide [French] [ACD/IUPAC Name]
N-(2,4-Difluorphenyl)-2-[3-isobutyl-6-methyl-2-(methylsulfanyl)-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]acetamid [German] [ACD/IUPAC Name]
N-(2,4-Difluoro-phenyl)-2-(3-isobutyl-6-methyl-2-methylsulfanyl-4-oxo-3,4-dihydro-pyrrolo[3,2-d]pyrimidin-5-yl)-acetamide
N-(2,4-difluorophenyl)-2-[6-methyl-3-(2-methylpropyl)-2-(methylsulfanyl)-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 109.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.70
ACD/KOC (pH 5.5): 855.89
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.48
ACD/KOC (pH 7.4): 853.72
Polar Surface Area: 92 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 311.2±7.0 cm3

Click to predict properties on the Chemicalize site


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