ChemSpider 2D Image | (6Z)-5-Imino-2-isopropyl-6-(3-methoxy-4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C27H30N4O5S

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

  • Molecular FormulaC27H30N4O5S
  • Average mass522.616 Da
  • Monoisotopic mass522.193665 Da
  • ChemSpider ID22934905

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-5-Imino-2-isopropyl-6-(3-methoxy-4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}benzyliden)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6Z)-5-Imino-2-isopropyl-6-(3-methoxy-4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6Z)-5-Imino-2-isopropyl-6-(3-méthoxy-4-{2-[2-(4-méthylphénoxy)éthoxy]éthoxy}benzylidène)-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, 5,6-dihydro-5-imino-6-[[3-methoxy-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]phenyl]methylene]-2-(1-methylethyl)-, (6Z)- [ACD/Index Name]
(6Z)-5-imino-6-(3-methoxy-4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}benzylidene)-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
5-Imino-2-isopropyl-6-{3-methoxy-4-[2-(2-p-tolyloxy-ethoxy)-ethoxy]-benzylidene}-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
5-imino-6-[(3-methoxy-4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}phenyl)methylene]-2-(methylethyl)-4-hydro-1,3,4-thiadiazolino[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: 656.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.0±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 142.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 605.79
ACD/KOC (pH 5.5): 3413.40
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 605.79
ACD/KOC (pH 7.4): 3413.40
Polar Surface Area: 131 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 403.8±7.0 cm3

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