ChemSpider 2D Image | (6Z)-6-{4-[2-(2-Allylphenoxy)ethoxy]-3-ethoxybenzylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C32H38N4O4S

(6Z)-6-{4-[2-(2-Allylphenoxy)ethoxy]-3-ethoxybenzylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC32H38N4O4S
  • Average mass574.734 Da
  • Monoisotopic mass574.261353 Da
  • ChemSpider ID21863838

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-6-{4-[2-(2-Allylphenoxy)ethoxy]-3-ethoxybenzyliden}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6Z)-6-{4-[2-(2-Allylphenoxy)ethoxy]-3-ethoxybenzylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6Z)-6-{4-[2-(2-Allylphénoxy)éthoxy]-3-éthoxybenzylidène}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-ethoxy-4-[2-[2-(2-propen-1-yl)phenoxy]ethoxy]phenyl]methylene]-2-heptyl-5,6-dihydro-5-imino-, (6Z)- [ACD/Index Name]
(6Z)-6-(3-ethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
6-{4-[2-(2-Allyl-phenoxy)-ethoxy]-3-ethoxy-benzylidene}-2-heptyl-5-imino-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-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: 681.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 365.8±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 164.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 7.17
ACD/BCF (pH 5.5): 166534.86
ACD/KOC (pH 5.5): 190164.73
ACD/LogD (pH 7.4): 7.17
ACD/BCF (pH 7.4): 166534.86
ACD/KOC (pH 7.4): 190164.73
Polar Surface Area: 122 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 478.4±7.0 cm3

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