ChemSpider 2D Image | N-{[2-(Isopropylsulfonyl)-1-(2-phenylethyl)-1H-imidazol-5-yl]methyl}-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine | C22H30N4O2S2

N-{[2-(Isopropylsulfonyl)-1-(2-phenylethyl)-1H-imidazol-5-yl]methyl}-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine

  • Molecular FormulaC22H30N4O2S2
  • Average mass446.629 Da
  • Monoisotopic mass446.181030 Da
  • ChemSpider ID22245376

More details:

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

2-Thiazolemethanamine, N,α,4-trimethyl-N-[[2-[(1-methylethyl)sulfonyl]-1-(2-phenylethyl)-1H-imidazol-5-yl]methyl]- [ACD/Index Name]
N-{[2-(Isopropylsulfonyl)-1-(2-phenylethyl)-1H-imidazol-5-yl]methyl}-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamin [German] [ACD/IUPAC Name]
N-{[2-(Isopropylsulfonyl)-1-(2-phenylethyl)-1H-imidazol-5-yl]methyl}-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine [ACD/IUPAC Name]
N-{[2-(Isopropylsulfonyl)-1-(2-phényléthyl)-1H-imidazol-5-yl]méthyl}-N-méthyl-1-(4-méthyl-1,3-thiazol-2-yl)éthanamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 587.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.3±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 126.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 105.92
ACD/KOC (pH 5.5): 788.00
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 224.62
ACD/KOC (pH 7.4): 1671.06
Polar Surface Area: 105 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 362.4±7.0 cm3

Click to predict properties on the Chemicalize site


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