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Search term: ICEVCPZBQFHSJX-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(2,5-Difluorophenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide | C14H11F2N5O2S

N-(2,5-Difluorophenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide

  • Molecular FormulaC14H11F2N5O2S
  • Average mass351.331 Da
  • Monoisotopic mass351.060150 Da
  • ChemSpider ID21681962

More details:

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

Acetamide, N-(2,5-difluorophenyl)-2-[(6,9-dihydro-9-methyl-6-oxo-1H-purin-8-yl)thio]- [ACD/Index Name]
N-(2,5-Difluorophenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide [ACD/IUPAC Name]
N-(2,5-Difluorophényl)-2-[(9-méthyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acétamide [French] [ACD/IUPAC Name]
N-(2,5-Difluorphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamid [German] [ACD/IUPAC Name]
MFCD09788438
N-(2,5-Difluoro-phenyl)-2-(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-ylsulfanyl)-acetamide
N-(2,5-difluorophenyl)-2-(9-methyl-6-oxohydropurin-8-ylthio)acetamide
N-(2,5-difluorophenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)thio]acetamide

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.712
Molar Refractivity: 84.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.45
ACD/KOC (pH 5.5): 117.03
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.87
ACD/KOC (pH 7.4): 104.69
Polar Surface Area: 114 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 216.1±7.0 cm3

Click to predict properties on the Chemicalize site


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