ChemSpider 2D Image | N-(4-{[3-Butyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}phenyl)-1-methyl-1H-imidazole-4-sulfonamide | C27H28FN7O4S

N-(4-{[3-Butyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}phenyl)-1-methyl-1H-imidazole-4-sulfonamide

  • Molecular FormulaC27H28FN7O4S
  • Average mass565.619 Da
  • Monoisotopic mass565.190735 Da
  • ChemSpider ID8208058

More details:

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

1H-Imidazole-4-sulfonamide, N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,3,6,7-tetrahydro-2,6-dioxo-1H-purin-8-yl]methyl]phenyl]-1-methyl- [ACD/Index Name]
N-(4-{[3-Butyl-1-(2-fluorbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}phenyl)-1-methyl-1H-imidazol-4-sulfonamid [German] [ACD/IUPAC Name]
N-(4-{[3-Butyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}phenyl)-1-methyl-1H-imidazole-4-sulfonamide [ACD/IUPAC Name]
N-(4-{[3-Butyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl]méthyl}phényl)-1-méthyl-1H-imidazole-4-sulfonamide [French] [ACD/IUPAC Name]
CHEMBL245018
UN8

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

Density: 1.4±0.1 g/cm3
Boiling Point: 865.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 477.5±37.1 °C
Index of Refraction: 1.689
Molar Refractivity: 149.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 131.41
ACD/KOC (pH 5.5): 1118.16
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 20.63
ACD/KOC (pH 7.4): 175.56
Polar Surface Area: 142 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 391.1±7.0 cm3

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