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

(Z)-1-(4-Butoxy-3-ethoxyphenyl)-N-(3-{[4-(2-methyl-2-propanyl)benzyl]sulfanyl}-5-propyl-4H-1,2,4-triazol-4-yl)methanimine

  • Molecular FormulaC29H40N4O2S
  • Average mass508.719 Da
  • Monoisotopic mass508.287201 Da
  • ChemSpider ID60138735

  • Double-bond stereo - Double-bond stereo

More details:

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

(Z)-1-(4-Butoxy-3-ethoxyphenyl)-N-(3-{[4-(2-methyl-2-propanyl)benzyl]sulfanyl}-5-propyl-4H-1,2,4-triazol-4-yl)methanimin [German] [ACD/IUPAC Name]
(Z)-1-(4-Butoxy-3-ethoxyphenyl)-N-(3-{[4-(2-methyl-2-propanyl)benzyl]sulfanyl}-5-propyl-4H-1,2,4-triazol-4-yl)methanimine [ACD/IUPAC Name]
(Z)-1-(4-Butoxy-3-éthoxyphényl)-N-(3-{[4-(2-méthyl-2-propanyl)benzyl]sulfanyl}-5-propyl-4H-1,2,4-triazol-4-yl)méthanimine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, N-[(1Z)-(4-butoxy-3-ethoxyphenyl)methylene]-3-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-5-propyl- [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: 645.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.5±34.3 °C
Index of Refraction: 1.565
Molar Refractivity: 151.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 9.53
ACD/LogD (pH 5.5): 7.71
ACD/BCF (pH 5.5): 427368.63
ACD/KOC (pH 5.5): 373252.63
ACD/LogD (pH 7.4): 7.71
ACD/BCF (pH 7.4): 427703.31
ACD/KOC (pH 7.4): 373544.94
Polar Surface Area: 87 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 38.5±7.0 dyne/cm
Molar Volume: 465.9±7.0 cm3

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