ChemSpider 2D Image | (Z)-1-(3-Chloro-5-ethoxy-4-propoxyphenyl)-N-(3-{[4-(2-methyl-2-propanyl)benzyl]sulfanyl}-5-propyl-4H-1,2,4-triazol-4-yl)methanimine | C28H37ClN4O2S

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

  • Molecular FormulaC28H37ClN4O2S
  • Average mass529.137 Da
  • Monoisotopic mass528.232544 Da
  • ChemSpider ID60138761

  • Double-bond stereo - Double-bond stereo

More details:

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

(Z)-1-(3-Chlor-5-ethoxy-4-propoxyphenyl)-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-(3-Chloro-5-ethoxy-4-propoxyphenyl)-N-(3-{[4-(2-methyl-2-propanyl)benzyl]sulfanyl}-5-propyl-4H-1,2,4-triazol-4-yl)methanimine [ACD/IUPAC Name]
(Z)-1-(3-Chloro-5-éthoxy-4-propoxyphényl)-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)-(3-chloro-5-ethoxy-4-propoxyphenyl)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: 1.2±0.1 g/cm3
Boiling Point: 658.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.8±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 151.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.98
ACD/LogD (pH 5.5): 8.13
ACD/BCF (pH 5.5): 883160.56
ACD/KOC (pH 5.5): 627579.75
ACD/LogD (pH 7.4): 8.13
ACD/BCF (pH 7.4): 883694.06
ACD/KOC (pH 7.4): 627958.88
Polar Surface Area: 87 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 39.5±7.0 dyne/cm
Molar Volume: 459.1±7.0 cm3

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