ChemSpider 2D Image | Methyl 4-({3-[(1-methyl-1H-imidazol-2-yl)sulfonyl]-1-azetidinyl}sulfonyl)benzoate | C15H17N3O6S2

Methyl 4-({3-[(1-methyl-1H-imidazol-2-yl)sulfonyl]-1-azetidinyl}sulfonyl)benzoate

  • Molecular FormulaC15H17N3O6S2
  • Average mass399.442 Da
  • Monoisotopic mass399.055878 Da
  • ChemSpider ID35011670

More details:

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

4-({3-[(1-Méthyl-1H-imidazol-2-yl)sulfonyl]-1-azétidinyl}sulfonyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[3-[(1-methyl-1H-imidazol-2-yl)sulfonyl]-1-azetidinyl]sulfonyl]-, methyl ester [ACD/Index Name]
Methyl 4-({3-[(1-methyl-1H-imidazol-2-yl)sulfonyl]-1-azetidinyl}sulfonyl)benzoate [ACD/IUPAC Name]
Methyl-4-({3-[(1-methyl-1H-imidazol-2-yl)sulfonyl]-1-azetidinyl}sulfonyl)benzoat [German] [ACD/IUPAC Name]
2034490-66-7 [RN]
methyl 4-((3-((1-methyl-1H-imidazol-2-yl)sulfonyl)azetidin-1-yl)sulfonyl)benzoate
methyl 4-({3-[(1-methyl-1H-imidazol-2-yl)sulfonyl]azetidin-1-yl}sulfonyl)benzoate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 631.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.4±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 96.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.52
ACD/KOC (pH 5.5): 85.58
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.52
ACD/KOC (pH 7.4): 85.60
Polar Surface Area: 132 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 257.4±7.0 cm3

Click to predict properties on the Chemicalize site


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