ChemSpider 2D Image | (E)-N-[4-(4-Biphenylyl)-5-propyl-1,3-thiazol-2-yl]-2-(4-butylphenyl)ethenesulfonamide | C30H32N2O2S2

(E)-N-[4-(4-Biphenylyl)-5-propyl-1,3-thiazol-2-yl]-2-(4-butylphenyl)ethenesulfonamide

  • Molecular FormulaC30H32N2O2S2
  • Average mass516.717 Da
  • Monoisotopic mass516.190491 Da
  • ChemSpider ID23192874

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-N-[4-(4-Biphenylyl)-5-propyl-1,3-thiazol-2-yl]-2-(4-butylphenyl)ethenesulfonamide [ACD/IUPAC Name]
(E)-N-[4-(4-Biphénylyl)-5-propyl-1,3-thiazol-2-yl]-2-(4-butylphényl)éthènesulfonamide [French] [ACD/IUPAC Name]
(E)-N-[4-(4-Biphenylyl)-5-propyl-1,3-thiazol-2-yl]-2-(4-butylphenyl)ethensulfonamid [German] [ACD/IUPAC Name]
(E)-N-[4-(biphenyl-4-yl)-5-propyl-1,3-thiazol-2-yl]-2-(4-butylphenyl)ethenesulfonamide
Ethenesulfonamide, N-(4-[1,1'-biphenyl]-4-yl-5-propyl-2-thiazolyl)-2-(4-butylphenyl)-, (E)- [ACD/Index Name]
(E)-2-(4-Butyl-phenyl)-ethenesulfonic acid (4-biphenyl-4-yl-5-propyl-thiazol-2-yl)-amide
CHEMBL320558
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL320558/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 712.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.8±35.7 °C
Index of Refraction: 1.624
Molar Refractivity: 150.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 9.69
ACD/LogD (pH 5.5): 8.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 849632.63
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 189418.31
ACD/KOC (pH 7.4): 115099.72
Polar Surface Area: 96 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 427.2±3.0 cm3

Click to predict properties on the Chemicalize site


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