ChemSpider 2D Image | 2-{[4-(Adamantan-1-yl)-2-quinolinyl]carbonyl}-N-[4-(trifluoromethoxy)phenyl]hydrazinecarbothioamide | C28H27F3N4O2S

2-{[4-(Adamantan-1-yl)-2-quinolinyl]carbonyl}-N-[4-(trifluoromethoxy)phenyl]hydrazinecarbothioamide

  • Molecular FormulaC28H27F3N4O2S
  • Average mass540.600 Da
  • Monoisotopic mass540.180664 Da
  • ChemSpider ID58116967

More details:

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

2-{[4-(Adamantan-1-yl)-2-chinolinyl]carbonyl}-N-[4-(trifluormethoxy)phenyl]hydrazincarbothioamid [German] [ACD/IUPAC Name]
2-{[4-(Adamantan-1-yl)-2-quinoléinyl]carbonyl}-N-[4-(trifluorométhoxy)phényl]hydrazinecarbothioamide [French] [ACD/IUPAC Name]
2-{[4-(Adamantan-1-yl)-2-quinolinyl]carbonyl}-N-[4-(trifluoromethoxy)phenyl]hydrazinecarbothioamide [ACD/IUPAC Name]
2-Quinolinecarboxylic acid, 4-tricyclo[3.3.1.13,7]dec-1-yl-, 2-[thioxo[[4-(trifluoromethoxy)phenyl]amino]methyl]hydrazide [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.669
Molar Refractivity: 143.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 16633.44
ACD/KOC (pH 5.5): 36507.91
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 12274.44
ACD/KOC (pH 7.4): 26940.56
Polar Surface Area: 107 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 384.1±3.0 cm3

Click to predict properties on the Chemicalize site


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