ChemSpider 2D Image | (Z)-N-(3-Butyl-5-{[4-(2-methyl-2-propanyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-yl)-1-(3-ethoxy-4-isopropoxyphenyl)methanimine | C29H40N4O2S

(Z)-N-(3-Butyl-5-{[4-(2-methyl-2-propanyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-yl)-1-(3-ethoxy-4-isopropoxyphenyl)methanimine

  • Molecular FormulaC29H40N4O2S
  • Average mass508.719 Da
  • Monoisotopic mass508.287201 Da
  • ChemSpider ID60138903

  • Double-bond stereo - Double-bond stereo

More details:

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

(Z)-N-(3-Butyl-5-{[4-(2-methyl-2-propanyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-yl)-1-(3-ethoxy-4-isopropoxyphenyl)methanimin [German] [ACD/IUPAC Name]
(Z)-N-(3-Butyl-5-{[4-(2-methyl-2-propanyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-yl)-1-(3-ethoxy-4-isopropoxyphenyl)methanimine [ACD/IUPAC Name]
(Z)-N-(3-Butyl-5-{[4-(2-méthyl-2-propanyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-yl)-1-(3-éthoxy-4-isopropoxyphényl)méthanimine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, 3-butyl-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-N-[(1Z)-[3-ethoxy-4-(1-methylethoxy)phenyl]methylene]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 641.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 342.0±34.3 °C
Index of Refraction: 1.565
Molar Refractivity: 151.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.35
ACD/LogD (pH 5.5): 7.68
ACD/BCF (pH 5.5): 402133.81
ACD/KOC (pH 5.5): 357345.00
ACD/LogD (pH 7.4): 7.68
ACD/BCF (pH 7.4): 402433.72
ACD/KOC (pH 7.4): 357611.50
Polar Surface Area: 87 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 37.8±7.0 dyne/cm
Molar Volume: 465.0±7.0 cm3

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