ChemSpider 2D Image | (6Z)-2-Cyclohexyl-6-(3-ethoxy-4-{2-[4-(2-methyl-2-propanyl)phenoxy]ethoxy}benzylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C32H38N4O4S

(6Z)-2-Cyclohexyl-6-(3-ethoxy-4-{2-[4-(2-methyl-2-propanyl)phenoxy]ethoxy}benzylidene)-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 ID21260321

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-2-Cyclohexyl-6-(3-ethoxy-4-{2-[4-(2-methyl-2-propanyl)phenoxy]ethoxy}benzyliden)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6Z)-2-Cyclohexyl-6-(3-ethoxy-4-{2-[4-(2-methyl-2-propanyl)phenoxy]ethoxy}benzylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6Z)-2-Cyclohexyl-6-(3-éthoxy-4-{2-[4-(2-méthyl-2-propanyl)phénoxy]éthoxy}benzylidène)-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, 2-cyclohexyl-6-[[4-[2-[4-(1,1-dimethylethyl)phenoxy]ethoxy]-3-ethoxyphenyl]methylene]-5,6-dihydro-5-imino-, (6Z)- [ACD/Index Name]
(6Z)-6-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxybenzylidene}-2-cyclohexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
6-{4-[2-(4-tert-Butyl-phenoxy)-ethoxy]-3-ethoxy-benzylidene}-2-cyclohexyl-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: 1.3±0.1 g/cm3
Boiling Point: 691.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.3±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 161.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 6.29
ACD/BCF (pH 5.5): 35589.08
ACD/KOC (pH 5.5): 63010.96
ACD/LogD (pH 7.4): 6.29
ACD/BCF (pH 7.4): 35589.08
ACD/KOC (pH 7.4): 63010.96
Polar Surface Area: 122 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 454.4±7.0 cm3

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