ChemSpider 2D Image | N'-[(Z)-{2-Methoxy-5-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenyl}methylene]-2-{[6-(4-morpholinyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetohydrazide | C22H20F6N6O3S

N'-[(Z)-{2-Methoxy-5-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenyl}methylene]-2-{[6-(4-morpholinyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetohydrazide

  • Molecular FormulaC22H20F6N6O3S
  • Average mass562.488 Da
  • Monoisotopic mass562.122192 Da
  • ChemSpider ID99411417

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetic acid, 2-[[6-(4-morpholinyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-, 2-[(1Z)-[2-methoxy-5-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl]methylene]hydrazide [ACD/Index Name]
N'-[(Z)-{2-Methoxy-5-[3-(trifluormethyl)-3H-diaziren-3-yl]phenyl}methylen]-2-{[6-(4-morpholinyl)-4-(trifluormethyl)-2-pyridinyl]sulfanyl}acetohydrazid [German] [ACD/IUPAC Name]
N'-[(Z)-{2-Methoxy-5-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenyl}methylene]-2-{[6-(4-morpholinyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetohydrazide [ACD/IUPAC Name]
N'-[(Z)-{2-Méthoxy-5-[3-(trifluorométhyl)-3H-diazirén-3-yl]phényl}méthylène]-2-{[6-(4-morpholinyl)-4-(trifluorométhyl)-2-pyridinyl]sulfanyl}acétohydrazide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.603
Molar Refractivity: 125.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2201.49
ACD/KOC (pH 5.5): 8596.30
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2201.32
ACD/KOC (pH 7.4): 8595.61
Polar Surface Area: 126 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 363.8±7.0 cm3

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