ChemSpider 2D Image | 3-({7-[(1-Methyl-1H-imidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate | C15H16N6O5S

3-({7-[(1-Methyl-1H-imidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate

  • Molecular FormulaC15H16N6O5S
  • Average mass392.390 Da
  • Monoisotopic mass392.090302 Da
  • ChemSpider ID22473637

More details:

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

1-Propanol, 3-[[7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-, acetate (ester) [ACD/Index Name]
3-({7-[(1-Methyl-1H-imidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate [ACD/IUPAC Name]
3-({7-[(1-Methyl-1H-imidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-({7-[(1-méthyl-1H-imidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyle [French] [ACD/IUPAC Name]
3-({7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 661.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.7±34.3 °C
Index of Refraction: 1.716
Molar Refractivity: 96.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.40
ACD/KOC (pH 5.5): 647.30
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.50
ACD/KOC (pH 7.4): 648.37
Polar Surface Area: 166 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 246.5±7.0 cm3

Click to predict properties on the Chemicalize site


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