ChemSpider 2D Image | (6Z)-6-{3-Ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C26H28N4O5S

(6Z)-6-{3-Ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC26H28N4O5S
  • Average mass508.589 Da
  • Monoisotopic mass508.178040 Da
  • ChemSpider ID22934875

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-6-{3-Ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzyliden}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6Z)-6-{3-Ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6Z)-6-{3-Éthoxy-4-[2-(2-méthoxyphénoxy)éthoxy]benzylidène}-5-imino-2-isopropyl-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-methoxyphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)- [ACD/Index Name]
(6Z)-6-{3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene}-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
6-({3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}methylene)-5-imino-2-(methylethyl)-4-hydro-1,3,4-thiadiazolino[3,2-a]pyrimidin-7-one
6-{3-Ethoxy-4-[2-(2-methoxy-phenoxy)-ethoxy]-benzylidene}-5-imino-2-isopropyl-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: 1.3±0.1 g/cm3
Boiling Point: 634.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.6±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 137.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 317.17
ACD/KOC (pH 5.5): 2147.99
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 317.17
ACD/KOC (pH 7.4): 2147.99
Polar Surface Area: 131 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 387.8±7.0 cm3

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