ChemSpider 2D Image | N-[4-(Methylsulfanyl)-1-{(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylene]hydrazino}-1-oxo-2-butanyl]-4-(trifluoromethyl)benzamide (non-preferred name) | C21H19F3N4O6S

N-[4-(Methylsulfanyl)-1-{(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylene]hydrazino}-1-oxo-2-butanyl]-4-(trifluoromethyl)benzamide (non-preferred name)

  • Molecular FormulaC21H19F3N4O6S
  • Average mass512.459 Da
  • Monoisotopic mass512.097717 Da
  • ChemSpider ID82930920

  • Double-bond stereo - Double-bond stereo

More details:

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

N-[4-(Methylsulfanyl)-1-{(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylen]hydrazino}-1-oxo-2-butanyl]-4-(trifluormethyl)benzamid (non-preferred name) [German] [ACD/IUPAC Name]
N-[4-(Methylsulfanyl)-1-{(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylene]hydrazino}-1-oxo-2-butanyl]-4-(trifluoromethyl)benzamide (non-preferred name) [ACD/IUPAC Name]
N-[4-(Méthylsulfanyl)-1-{(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)méthylène]hydrazino}-1-oxo-2-butanyl]-4-(trifluorométhyl)benzamide (non-preferred name) [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: 1.617
Molar Refractivity: 118.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 733.53
ACD/KOC (pH 5.5): 3914.41
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 733.46
ACD/KOC (pH 7.4): 3914.05
Polar Surface Area: 160 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 339.4±7.0 cm3

Click to predict properties on the Chemicalize site


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