ChemSpider 2D Image | 1-{[1-(2-Methoxyethyl)-1H-imidazol-5-yl]methyl}-4-(methylsulfonyl)-1,4-diazepane | C13H24N4O3S

1-{[1-(2-Methoxyethyl)-1H-imidazol-5-yl]methyl}-4-(methylsulfonyl)-1,4-diazepane

  • Molecular FormulaC13H24N4O3S
  • Average mass316.420 Da
  • Monoisotopic mass316.156921 Da
  • ChemSpider ID35080430

More details:

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

1-{[1-(2-Methoxyethyl)-1H-imidazol-5-yl]methyl}-4-(methylsulfonyl)-1,4-diazepan [German] [ACD/IUPAC Name]
1-{[1-(2-Methoxyethyl)-1H-imidazol-5-yl]methyl}-4-(methylsulfonyl)-1,4-diazepane [ACD/IUPAC Name]
1-{[1-(2-Méthoxyéthyl)-1H-imidazol-5-yl]méthyl}-4-(méthylsulfonyl)-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, hexahydro-1-[[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl]-4-(methylsulfonyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 494.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 252.9±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 83.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.04
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.91
Polar Surface Area: 76 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 247.1±7.0 cm3

Click to predict properties on the Chemicalize site


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