ChemSpider 2D Image | 3-Cyano-3-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl 3-[butyl(phenyl)sulfamoyl]benzoate | C28H26N4O5S

3-Cyano-3-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl 3-[butyl(phenyl)sulfamoyl]benzoate

  • Molecular FormulaC28H26N4O5S
  • Average mass530.595 Da
  • Monoisotopic mass530.162415 Da
  • ChemSpider ID4636000

More details:

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

3-[Butyl(phényl)sulfamoyl]benzoate de 3-cyano-3-(1,3-dihydro-2H-benzimidazol-2-ylidène)-2-oxopropyle [French] [ACD/IUPAC Name]
3-Cyan-3-(1,3-dihydro-2H-benzimidazol-2-yliden)-2-oxopropyl-3-[butyl(phenyl)sulfamoyl]benzoat [German] [ACD/IUPAC Name]
3-Cyano-3-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl 3-[butyl(phenyl)sulfamoyl]benzoate [ACD/IUPAC Name]
Benzoic acid, 3-[(butylphenylamino)sulfonyl]-, 3-cyano-3-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl ester [ACD/Index Name]

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

ZINC03264062 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 708.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.5±35.7 °C
Index of Refraction: 1.629
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 745.40
ACD/KOC (pH 5.5): 3959.67
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 745.41
ACD/KOC (pH 7.4): 3959.68
Polar Surface Area: 137 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 398.9±3.0 cm3

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