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

N-(2,4-Difluorophenyl)-2-{[6-methyl-3-(3-methylbutyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

  • Molecular FormulaC20H22F2N4O2S
  • Average mass420.476 Da
  • Monoisotopic mass420.143158 Da
  • ChemSpider ID25184021

More details:

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

Acetamide, N-(2,4-difluorophenyl)-2-[[4,5-dihydro-6-methyl-3-(3-methylbutyl)-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]thio]- [ACD/Index Name]
N-(2,4-Difluorophenyl)-2-{[6-methyl-3-(3-methylbutyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(2,4-Difluorophényl)-2-{[6-méthyl-3-(3-méthylbutyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acétamide [French] [ACD/IUPAC Name]
N-(2,4-Difluorphenyl)-2-{[6-methyl-3-(3-methylbutyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-(2,4-Difluoro-phenyl)-2-[6-methyl-3-(3-methyl-butyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-ylsulfanyl]-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: 3.69
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 175.32
ACD/KOC (pH 5.5): 1405.21
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 175.29
ACD/KOC (pH 7.4): 1404.97
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


Advertisement