ChemSpider 2D Image | (2E,5Z)-5-{[5-(1,3-Benzothiazol-2-yl)-2-furyl]methylene}-3-phenyl-2-[(2E)-(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)hydrazono]-1,3-thiazolidin-4-one | C31H28N4O2S2

(2E,5Z)-5-{[5-(1,3-Benzothiazol-2-yl)-2-furyl]methylene}-3-phenyl-2-[(2E)-(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)hydrazono]-1,3-thiazolidin-4-one

  • Molecular FormulaC31H28N4O2S2
  • Average mass552.710 Da
  • Monoisotopic mass552.165344 Da
  • ChemSpider ID11899746

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,5Z)-5-{[5-(1,3-Benzothiazol-2-yl)-2-furyl]methylen}-3-phenyl-2-[(2E)-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yliden)hydrazono]-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
(2E,5Z)-5-{[5-(1,3-Benzothiazol-2-yl)-2-furyl]methylene}-3-phenyl-2-[(2E)-(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)hydrazono]-1,3-thiazolidin-4-one [ACD/IUPAC Name]
(2E,5Z)-5-{[5-(1,3-Benzothiazol-2-yl)-2-furyl]méthylène}-3-phényl-2-[(2E)-(1,7,7-triméthylbicyclo[2.2.1]hept-2-ylidène)hydrazono]-1,3-thiazolidin-4-one [French] [ACD/IUPAC Name]
2,4-Thiazolidinedione, 5-[[5-(2-benzothiazolyl)-2-furanyl]methylene]-3-phenyl-, 2-[2-[(2E)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene]hydrazone], (2E,5Z)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 689.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 370.9±34.3 °C
Index of Refraction: 1.733
Molar Refractivity: 159.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.18
ACD/LogD (pH 5.5): 6.59
ACD/BCF (pH 5.5): 59784.94
ACD/KOC (pH 5.5): 91340.69
ACD/LogD (pH 7.4): 6.59
ACD/BCF (pH 7.4): 59785.53
ACD/KOC (pH 7.4): 91341.59
Polar Surface Area: 125 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 397.1±7.0 cm3

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