ChemSpider 2D Image | (1-Methyl-2-nitro-1H-imidazol-5-yl)methyl 4-{[(4,5-dichloro-2-thienyl)sulfonyl]amino}-2-hydroxybenzoate | C16H12Cl2N4O7S2

(1-Methyl-2-nitro-1H-imidazol-5-yl)methyl 4-{[(4,5-dichloro-2-thienyl)sulfonyl]amino}-2-hydroxybenzoate

  • Molecular FormulaC16H12Cl2N4O7S2
  • Average mass507.325 Da
  • Monoisotopic mass505.952454 Da
  • ChemSpider ID128954637

More details:

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

(1-Methyl-2-nitro-1H-imidazol-5-yl)methyl 4-{[(4,5-dichloro-2-thienyl)sulfonyl]amino}-2-hydroxybenzoate [ACD/IUPAC Name]
(1-Methyl-2-nitro-1H-imidazol-5-yl)methyl-4-{[(4,5-dichlor-2-thienyl)sulfonyl]amino}salicylat [German] [ACD/IUPAC Name]
4-{[(4,5-Dichloro-2-thiényl)sulfonyl]amino}-2-hydroxybenzoate de (1-méthyl-2-nitro-1H-imidazol-5-yl)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(4,5-dichloro-2-thienyl)sulfonyl]amino]-2-hydroxy-, (1-methyl-2-nitro-1H-imidazol-5-yl)methyl ester [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 743.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 403.2±35.7 °C
Index of Refraction: 1.737
Molar Refractivity: 114.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 170.24
ACD/KOC (pH 5.5): 972.53
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 6.70
ACD/KOC (pH 7.4): 38.30
Polar Surface Area: 193 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 76.3±7.0 dyne/cm
Molar Volume: 283.6±7.0 cm3

Click to predict properties on the Chemicalize site


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