ChemSpider 2D Image | 2-[(3-sec-Butyl-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2,4-difluorobenzyl)acetamide | C20H22F2N4O2S

2-[(3-sec-Butyl-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2,4-difluorobenzyl)acetamide

  • Molecular FormulaC20H22F2N4O2S
  • Average mass420.476 Da
  • Monoisotopic mass420.143158 Da
  • ChemSpider ID25184264

More details:

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

2-[(3-sec-Butyl-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2,4-difluorbenzyl)acetamid [German] [ACD/IUPAC Name]
2-[(3-sec-Butyl-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2,4-difluorobenzyl)acetamide [ACD/IUPAC Name]
2-[(3-sec-Butyl-6-méthyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2,4-difluorobenzyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, N-[(2,4-difluorophenyl)methyl]-2-[[4,5-dihydro-6-methyl-3-(1-methylpropyl)-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]thio]- [ACD/Index Name]
2-(3-sec-Butyl-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-ylsulfanyl)-N-(2,4-difluoro-benzyl)-acetamide
2-{[3-(butan-2-yl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2,4-difluorobenzyl)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: 1.630
Molar Refractivity: 108.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.15
ACD/KOC (pH 5.5): 557.23
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.15
ACD/KOC (pH 7.4): 557.23
Polar Surface Area: 103 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 306.0±7.0 cm3

Click to predict properties on the Chemicalize site


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