ChemSpider 2D Image | N-({1-Butyl-2-[(cyclobutylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-N-methyl-1-(2-thienyl)ethanamine | C20H31N3O2S2

N-({1-Butyl-2-[(cyclobutylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-N-methyl-1-(2-thienyl)ethanamine

  • Molecular FormulaC20H31N3O2S2
  • Average mass409.609 Da
  • Monoisotopic mass409.185760 Da
  • ChemSpider ID22216328

More details:

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

1H-Imidazole-5-methanamine, 1-butyl-2-[(cyclobutylmethyl)sulfonyl]-N-methyl-N-[1-(2-thienyl)ethyl]- [ACD/Index Name]
N-({1-Butyl-2-[(cyclobutylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-N-methyl-1-(2-thienyl)ethanamin [German] [ACD/IUPAC Name]
N-({1-Butyl-2-[(cyclobutylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-N-methyl-1-(2-thienyl)ethanamine [ACD/IUPAC Name]
N-({1-Butyl-2-[(cyclobutylméthyl)sulfonyl]-1H-imidazol-5-yl}méthyl)-N-méthyl-1-(2-thiényl)éthanamine [French] [ACD/IUPAC Name]
({1-butyl-2-[(cyclobutylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)methyl[1-(2-thienyl)ethyl]amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.5±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.7±32.3 °C
Index of Refraction: 1.620
Molar Refractivity: 115.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 16.05
ACD/KOC (pH 5.5): 105.35
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 279.04
ACD/KOC (pH 7.4): 1831.22
Polar Surface Area: 92 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 327.4±7.0 cm3

Click to predict properties on the Chemicalize site


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