ChemSpider 2D Image | 2-(4-Butoxyphenyl)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one | C30H24N6O4S

2-(4-Butoxyphenyl)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

  • Molecular FormulaC30H24N6O4S
  • Average mass564.614 Da
  • Monoisotopic mass564.157959 Da
  • ChemSpider ID3700330

More details:

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

2-(4-Butoxyphenyl)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylen}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-on [German] [ACD/IUPAC Name]
2-(4-Butoxyphenyl)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one [ACD/IUPAC Name]
2-(4-Butoxyphényl)-5-{[3-(3-nitrophényl)-1-phényl-1H-pyrazol-4-yl]méthylène}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one [French] [ACD/IUPAC Name]
Thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 2-(4-butoxyphenyl)-5-[[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]- [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: 790.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 432.0±35.7 °C
Index of Refraction: 1.716
Molar Refractivity: 158.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 8.42
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 51898.59
ACD/KOC (pH 5.5): 82544.92
ACD/LogD (pH 7.4): 6.51
ACD/BCF (pH 7.4): 51898.59
ACD/KOC (pH 7.4): 82544.92
Polar Surface Area: 146 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 402.0±7.0 cm3

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