ChemSpider 2D Image | (2E)-2-{4,5,6-Trimethoxy-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-2,3-dihydro-1H-inden-1-ylidene}hydrazinecarboximidamide | C20H21N7O5S

(2E)-2-{4,5,6-Trimethoxy-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-2,3-dihydro-1H-inden-1-ylidene}hydrazinecarboximidamide

  • Molecular FormulaC20H21N7O5S
  • Average mass471.490 Da
  • Monoisotopic mass471.132477 Da
  • ChemSpider ID25051501

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-{4,5,6-Trimethoxy-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-2,3-dihydro-1H-inden-1-yliden}hydrazincarboximidamid [German] [ACD/IUPAC Name]
(2E)-2-{4,5,6-Trimethoxy-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-2,3-dihydro-1H-inden-1-ylidene}hydrazinecarboximidamide [ACD/IUPAC Name]
(2E)-2-{4,5,6-Triméthoxy-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-2,3-dihydro-1H-indén-1-ylidène}hydrazinecarboximidamide [French] [ACD/IUPAC Name]
Carbonohydrazonic diamide, N''-[(1E)-2,3-dihydro-4,5,6-trimethoxy-2-[(5-nitro-1H-benzimidazol-2-yl)thio]-1H-inden-1-ylidene]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 775.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 422.5±35.7 °C
Index of Refraction: 1.748
Molar Refractivity: 117.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.23
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 9.25
ACD/KOC (pH 7.4): 123.54
Polar Surface Area: 204 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 68.0±7.0 dyne/cm
Molar Volume: 289.3±7.0 cm3

Click to predict properties on the Chemicalize site


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