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Search term: AAVQCGFYMCNRFT (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 4-[(5-{(2E)-2-[4-(Diethylamino)benzylidene]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]butyl trifluoroacetate | C19H25F3N6O2S

4-[(5-{(2E)-2-[4-(Diethylamino)benzylidene]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]butyl trifluoroacetate

  • Molecular FormulaC19H25F3N6O2S
  • Average mass458.501 Da
  • Monoisotopic mass458.171173 Da
  • ChemSpider ID68666214
  • Double-bond stereo - Double-bond stereo


More details:






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

4-[(5-{(2E)-2-[4-(Diethylamino)benzyliden]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]butyl-trifluoracetat [German] [ACD/IUPAC Name]
4-[(5-{(2E)-2-[4-(Diethylamino)benzylidene]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]butyl trifluoroacetate [ACD/IUPAC Name]
Acetic acid, 2,2,2-trifluoro-, 4-[[5-[(2E)-2-[[4-(diethylamino)phenyl]methylene]hydrazinyl]-4H-1,2,4-triazol-3-yl]thio]butyl ester [ACD/Index Name]
Trifluoroacétate de 4-[(5-{(2E)-2-[4-(diéthylamino)benzylidène]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]butyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 590.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 310.9±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 114.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 829.00
ACD/KOC (pH 5.5): 3861.03
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1164.23
ACD/KOC (pH 7.4): 5422.34
Polar Surface Area: 121 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 346.2±7.0 cm3

Click to predict properties on the Chemicalize site






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