ChemSpider 2D Image | (5Z)-2-(4-Butoxyphenyl)-5-[4-(hexyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one | C28H33N3O4S

(5Z)-2-(4-Butoxyphenyl)-5-[4-(hexyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

  • Molecular FormulaC28H33N3O4S
  • Average mass507.644 Da
  • Monoisotopic mass507.219177 Da
  • ChemSpider ID5019239

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-2-(4-Butoxyphenyl)-5-[4-(hexyloxy)-3-methoxybenzyliden][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-on [German] [ACD/IUPAC Name]
(5Z)-2-(4-Butoxyphenyl)-5-[4-(hexyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one [ACD/IUPAC Name]
(5Z)-2-(4-Butoxyphényl)-5-[4-(hexyloxy)-3-méthoxybenzylidène][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-[[4-(hexyloxy)-3-methoxyphenyl]methylene]-, (5Z)- [ACD/Index Name]
(5Z)-2-(4-butoxyphenyl)-5-[(4-hexoxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
(5Z)-2-(4-butoxyphenyl)-5-{[4-(hexyloxy)-3-methoxyphenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
2-(4-butoxyphenyl)-5-[(4-hexyloxy-3-methoxyphenyl)methylene]-1,3-thiazolidino[3,2-d]1,2,4-triazol-6-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 674.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.6±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 143.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.32
ACD/LogD (pH 5.5): 7.55
ACD/BCF (pH 5.5): 321100.81
ACD/KOC (pH 5.5): 304248.00
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 321100.81
ACD/KOC (pH 7.4): 304248.00
Polar Surface Area: 101 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 417.6±7.0 cm3

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