ChemSpider 2D Image | LASSBio-881 | C23H27N3O6

LASSBio-881

  • Molecular FormulaC23H27N3O6
  • Average mass441.477 Da
  • Monoisotopic mass441.189972 Da
  • ChemSpider ID23293401
  • Double-bond stereo - Double-bond stereo


More details:






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

1,3-Benzodioxole-5-carboxylic acid, 6-nitro-, 2-[(1E)-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]hydrazide [ACD/Index Name]
LASSBio-881 [Wiki]
N'-[(E)-(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-6-nitro-1,3-benzodioxole-5-carbohydrazide
N'-{(E)-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]methylen}-6-nitro-1,3-benzodioxol-5-carbohydrazid [German] [ACD/IUPAC Name]
N'-{(E)-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]methylene}-6-nitro-1,3-benzodioxole-5-carbohydrazide [ACD/IUPAC Name]
N'-{(E)-[4-Hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]méthylène}-6-nitro-1,3-benzodioxole-5-carbohydrazide [French] [ACD/IUPAC Name]
N'-(3,5-di-tert-butyl-4-hydroxybenzylidene)-6-nitro-1,3-benzodioxole-5-carbohydrazine

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.595
Molar Refractivity: 117.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1716.04
ACD/KOC (pH 5.5): 7191.99
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1690.60
ACD/KOC (pH 7.4): 7085.35
Polar Surface Area: 126 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 344.8±7.0 cm3

Click to predict properties on the Chemicalize site





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