ChemSpider 2D Image | 4-(Nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate | C13H15N5O9S3

4-(Nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate

  • Molecular FormulaC13H15N5O9S3
  • Average mass481.481 Da
  • Monoisotopic mass481.003174 Da
  • ChemSpider ID26327424

More details:

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

3-[(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate de 4-(nitrooxy)butyle [French] [ACD/IUPAC Name]
4-(Nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate [ACD/IUPAC Name]
4-(Nitrooxy)butyl-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3-[[[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]amino]sulfonyl]-, 4-(nitrooxy)butyl ester [ACD/Index Name]
C1H

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

Density: 1.7±0.1 g/cm3
Boiling Point: 732.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 397.0±35.7 °C
Index of Refraction: 1.628
Molar Refractivity: 102.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.07
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.87
Polar Surface Area: 258 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 81.9±3.0 dyne/cm
Molar Volume: 290.0±3.0 cm3

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