ChemSpider 2D Image | Methyl ({5-[3-(diethylsulfamoyl)phenyl]-4-(1-methoxy-2-propanyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate | C19H28N4O5S2

Methyl ({5-[3-(diethylsulfamoyl)phenyl]-4-(1-methoxy-2-propanyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate

  • Molecular FormulaC19H28N4O5S2
  • Average mass456.579 Da
  • Monoisotopic mass456.150116 Da
  • ChemSpider ID30633431

More details:

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

({5-[3-(Diéthylsulfamoyl)phényl]-4-(1-méthoxy-2-propanyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[3-[(diethylamino)sulfonyl]phenyl]-4-(2-methoxy-1-methylethyl)-4H-1,2,4-triazol-3-yl]thio]-, methyl ester [ACD/Index Name]
Methyl ({5-[3-(diethylsulfamoyl)phenyl]-4-(1-methoxy-2-propanyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate [ACD/IUPAC Name]
Methyl-({5-[3-(diethylsulfamoyl)phenyl]-4-(1-methoxy-2-propanyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetat [German] [ACD/IUPAC 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: 619.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.3±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 119.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 147.79
ACD/KOC (pH 5.5): 1243.46
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 147.79
ACD/KOC (pH 7.4): 1243.47
Polar Surface Area: 137 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 353.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement