ChemSpider 2D Image | (7Z)-3-(1,1-Dioxidotetrahydro-3-thiophenyl)-9-methyl-7-(2,3,4-trimethoxybenzylidene)-3,4-dihydro-2H-furo[3,2-g][1,3]benzoxazin-6(7H)-one | C25H27NO8S

(7Z)-3-(1,1-Dioxidotetrahydro-3-thiophenyl)-9-methyl-7-(2,3,4-trimethoxybenzylidene)-3,4-dihydro-2H-furo[3,2-g][1,3]benzoxazin-6(7H)-one

  • Molecular FormulaC25H27NO8S
  • Average mass501.549 Da
  • Monoisotopic mass501.145752 Da
  • ChemSpider ID24564817

  • Double-bond stereo - Double-bond stereo

More details:

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

(7Z)-3-(1,1-Dioxidotetrahydro-3-thiophenyl)-9-methyl-7-(2,3,4-trimethoxybenzyliden)-3,4-dihydro-2H-furo[3,2-g][1,3]benzoxazin-6(7H)-on [German] [ACD/IUPAC Name]
(7Z)-3-(1,1-Dioxidotetrahydro-3-thiophenyl)-9-methyl-7-(2,3,4-trimethoxybenzylidene)-3,4-dihydro-2H-furo[3,2-g][1,3]benzoxazin-6(7H)-one [ACD/IUPAC Name]
(7Z)-3-(1,1-Dioxidotetrahydrothiophen-3-yl)-9-methyl-7-(2,3,4-trimethoxybenzylidene)-3,4-dihydro-2H-furo[3,2-g][1,3]benzoxazin-6(7H)-one
(7Z)-3-(1,1-Dioxydotétrahydro-3-thiophényl)-9-méthyl-7-(2,3,4-triméthoxybenzylidène)-3,4-dihydro-2H-furo[3,2-g][1,3]benzoxazin-6(7H)-one [French] [ACD/IUPAC Name]
2H-Furo[3,2-g]-1,3-benzoxazin-6(7H)-one, 3,4-dihydro-9-methyl-3-(tetrahydro-1,1-dioxido-3-thienyl)-7-[(2,3,4-trimethoxyphenyl)methylene]-, (7Z)- [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: 736.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.3±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: 1.85
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.04
ACD/KOC (pH 5.5): 338.37
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 24.16
ACD/KOC (pH 7.4): 340.12
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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