ChemSpider 2D Image | N-(3,5-Difluorophenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide | C17H17F2N5O3S

N-(3,5-Difluorophenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide

  • Molecular FormulaC17H17F2N5O3S
  • Average mass409.410 Da
  • Monoisotopic mass409.102020 Da
  • ChemSpider ID28397905

More details:






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

N-(3,5-Difluorophenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide [ACD/IUPAC Name]
N-(3,5-Difluorophényl)-3-[(1,3,9-triméthyl-2,6-dioxo-2,3,6,9-tétrahydro-1H-purin-8-yl)sulfanyl]propanamide [French] [ACD/IUPAC Name]
N-(3,5-Difluorphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamid [German] [ACD/IUPAC Name]
Propanamide, N-(3,5-difluorophenyl)-3-[(2,3,6,9-tetrahydro-1,3,9-trimethyl-2,6-dioxo-1H-purin-8-yl)thio]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 100.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 165.32
ACD/KOC (pH 5.5): 1347.37
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 165.32
ACD/KOC (pH 7.4): 1347.36
Polar Surface Area: 113 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 272.0±7.0 cm3

Click to predict properties on the Chemicalize site






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