ChemSpider 2D Image | (2E,2'E)-1,1'-(4,4'-Dimethyl-2,2'-bi-1,3-thiazole-5,5'-diyl)bis[3-(4-nitrophenyl)-2-propen-1-one] | C26H18N4O6S2

(2E,2'E)-1,1'-(4,4'-Dimethyl-2,2'-bi-1,3-thiazole-5,5'-diyl)bis[3-(4-nitrophenyl)-2-propen-1-one]

  • Molecular FormulaC26H18N4O6S2
  • Average mass546.574 Da
  • Monoisotopic mass546.066772 Da
  • ChemSpider ID4577901

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,2'E)-1,1'-(4,4'-Dimethyl-2,2'-bi-1,3-thiazol-5,5'-diyl)bis[3-(4-nitrophenyl)-2-propen-1-on] [German] [ACD/IUPAC Name]
(2E,2'E)-1,1'-(4,4'-Dimethyl-2,2'-bi-1,3-thiazole-5,5'-diyl)bis[3-(4-nitrophenyl)-2-propen-1-one] [ACD/IUPAC Name]
(2E,2'E)-1,1'-(4,4'-Diméthyl-2,2'-bi-1,3-thiazole-5,5'-diyl)bis[3-(4-nitrophényl)-2-propén-1-one] [French] [ACD/IUPAC Name]
2-Propen-1-one, 1,1'-(4,4'-dimethyl[2,2'-bithiazole]-5,5'-diyl)bis[3-(4-nitrophenyl)-, (2E,2'E)- [ACD/Index Name]

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

AIDS137590 [DBID]
AIDS-137590 [DBID]
NSC642073 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 763.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 415.5±35.7 °C
Index of Refraction: 1.716
Molar Refractivity: 148.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5707.04
ACD/KOC (pH 5.5): 16999.30
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5707.04
ACD/KOC (pH 7.4): 16999.30
Polar Surface Area: 208 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 69.5±3.0 dyne/cm
Molar Volume: 377.1±3.0 cm3

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