ChemSpider 2D Image | 5-(Nitrooxy)pentyl 4-({2-butyl-5-[(1Z)-3-{[5-(nitrooxy)pentyl]oxy}-3-oxo-2-(2-thienyl)-1-propen-1-yl]-1H-imidazol-1-yl}methyl)benzoate | C32H40N4O10S

5-(Nitrooxy)pentyl 4-({2-butyl-5-[(1Z)-3-{[5-(nitrooxy)pentyl]oxy}-3-oxo-2-(2-thienyl)-1-propen-1-yl]-1H-imidazol-1-yl}methyl)benzoate

  • Molecular FormulaC32H40N4O10S
  • Average mass672.746 Da
  • Monoisotopic mass672.246521 Da
  • ChemSpider ID9552279

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Thiopheneacetic acid, α-[[2-butyl-1-[[4-[[[5-(nitrooxy)pentyl]oxy]carbonyl]phenyl]methyl]-1H-imidazol-5-yl]methylene]-, 5-(nitrooxy)pentyl ester, (αZ)- [ACD/Index Name]
4-({2-Butyl-5-[(1Z)-3-{[5-(nitrooxy)pentyl]oxy}-3-oxo-2-(2-thiényl)-1-propén-1-yl]-1H-imidazol-1-yl}méthyl)benzoate de 5-(nitrooxy)pentyle [French] [ACD/IUPAC Name]
5-(Nitrooxy)pentyl 4-({2-butyl-5-[(1Z)-3-{[5-(nitrooxy)pentyl]oxy}-3-oxo-2-(2-thienyl)-1-propen-1-yl]-1H-imidazol-1-yl}methyl)benzoate [ACD/IUPAC Name]
5-(Nitrooxy)pentyl-4-({2-butyl-5-[(1Z)-3-{[5-(nitrooxy)pentyl]oxy}-3-oxo-2-(2-thienyl)-1-propen-1-yl]-1H-imidazol-1-yl}methyl)benzoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 794.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 434.2±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 175.6±0.5 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 7.94
ACD/LogD (pH 5.5): 7.21
ACD/BCF (pH 5.5): 146730.73
ACD/KOC (pH 5.5): 139451.14
ACD/LogD (pH 7.4): 7.54
ACD/BCF (pH 7.4): 313088.41
ACD/KOC (pH 7.4): 297555.50
Polar Surface Area: 209 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 521.3±7.0 cm3

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