ChemSpider 2D Image | N-{[5-({4-[6-(4,5-Dimethyl-1H-imidazol-1-yl)-2-methyl-4-pyrimidinyl]-1-piperazinyl}sulfonyl)-2-thienyl]methyl}acetamide | C21H27N7O3S2

N-{[5-({4-[6-(4,5-Dimethyl-1H-imidazol-1-yl)-2-methyl-4-pyrimidinyl]-1-piperazinyl}sulfonyl)-2-thienyl]methyl}acetamide

  • Molecular FormulaC21H27N7O3S2
  • Average mass489.614 Da
  • Monoisotopic mass489.161682 Da
  • ChemSpider ID58388728

More details:






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

Acetamide, N-[[5-[[4-[6-(4,5-dimethyl-1H-imidazol-1-yl)-2-methyl-4-pyrimidinyl]-1-piperazinyl]sulfonyl]-2-thienyl]methyl]- [ACD/Index Name]
N-{[5-({4-[6-(4,5-Dimethyl-1H-imidazol-1-yl)-2-methyl-4-pyrimidinyl]-1-piperazinyl}sulfonyl)-2-thienyl]methyl}acetamid [German] [ACD/IUPAC Name]
N-{[5-({4-[6-(4,5-Dimethyl-1H-imidazol-1-yl)-2-methyl-4-pyrimidinyl]-1-piperazinyl}sulfonyl)-2-thienyl]methyl}acetamide [ACD/IUPAC Name]
N-{[5-({4-[6-(4,5-Diméthyl-1H-imidazol-1-yl)-2-méthyl-4-pyrimidinyl]-1-pipérazinyl}sulfonyl)-2-thiényl]méthyl}acétamide [French] [ACD/IUPAC Name]
N-((5-((4-(6-(4,5-dimethyl-1H-imidazol-1-yl)-2-methylpyrimidin-4-yl)piperazin-1-yl)sulfonyl)thiophen-2-yl)methyl)acetamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.707
Molar Refractivity: 130.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.75
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 36.55
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.10
ACD/KOC (pH 7.4): 95.01
Polar Surface Area: 150 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 336.1±7.0 cm3

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