ChemSpider 2D Image | (2Z)-8-(1,1-Dioxidotetrahydro-3-thiophenyl)-4-methyl-2-(3,4,5-trimethoxybenzylidene)-8,9-dihydro-7H-furo[2,3-f][1,3]benzoxazin-3(2H)-one | C25H27NO8S

(2Z)-8-(1,1-Dioxidotetrahydro-3-thiophenyl)-4-methyl-2-(3,4,5-trimethoxybenzylidene)-8,9-dihydro-7H-furo[2,3-f][1,3]benzoxazin-3(2H)-one

  • Molecular FormulaC25H27NO8S
  • Average mass501.549 Da
  • Monoisotopic mass501.145752 Da
  • ChemSpider ID24565772

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-8-(1,1-Dioxidotetrahydro-3-thiophenyl)-4-methyl-2-(3,4,5-trimethoxybenzyliden)-8,9-dihydro-7H-furo[2,3-f][1,3]benzoxazin-3(2H)-on [German] [ACD/IUPAC Name]
(2Z)-8-(1,1-Dioxidotetrahydro-3-thiophenyl)-4-methyl-2-(3,4,5-trimethoxybenzylidene)-8,9-dihydro-7H-furo[2,3-f][1,3]benzoxazin-3(2H)-one [ACD/IUPAC Name]
(2Z)-8-(1,1-Dioxidotetrahydrothiophen-3-yl)-4-methyl-2-(3,4,5-trimethoxybenzylidene)-8,9-dihydro-7H-furo[2,3-f][1,3]benzoxazin-3(2H)-one
(2Z)-8-(1,1-Dioxydotétrahydro-3-thiophényl)-4-méthyl-2-(3,4,5-triméthoxybenzylidène)-8,9-dihydro-7H-furo[2,3-f][1,3]benzoxazin-3(2H)-one [French] [ACD/IUPAC Name]
7H-Furo[2,3-f][1,3]benzoxazin-3(2H)-one, 8,9-dihydro-4-methyl-8-(tetrahydro-1,1-dioxido-3-thienyl)-2-[(3,4,5-trimethoxyphenyl)methylene]-, (2Z)- [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: 754.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 410.0±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 126.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.98
ACD/KOC (pH 5.5): 229.66
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 14.05
ACD/KOC (pH 7.4): 230.75
Polar Surface Area: 109 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 360.0±3.0 cm3

Click to predict properties on the Chemicalize site


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