Found 1 result

Search term: DPOGHMDTOBNNGF-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-{[4-Bromo-1-(2-fluoro-5-nitrobenzyl)-1H-benzimidazol-6-yl]sulfonyl}-5-(methylsulfanyl)-2-thiophenecarboximidamide | C20H15BrFN5O4S3

4-{[4-Bromo-1-(2-fluoro-5-nitrobenzyl)-1H-benzimidazol-6-yl]sulfonyl}-5-(methylsulfanyl)-2-thiophenecarboximidamide

  • Molecular FormulaC20H15BrFN5O4S3
  • Average mass584.462 Da
  • Monoisotopic mass582.945374 Da
  • ChemSpider ID19855046

More details:

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

2-Thiophenecarboximidamide, 4-[[4-bromo-1-[(2-fluoro-5-nitrophenyl)methyl]-1H-benzimidazol-6-yl]sulfonyl]-5-(methylthio)- [ACD/Index Name]
4-{[4-Brom-1-(2-fluor-5-nitrobenzyl)-1H-benzimidazol-6-yl]sulfonyl}-5-(methylsulfanyl)-2-thiophencarboximidamid [German] [ACD/IUPAC Name]
4-{[4-Bromo-1-(2-fluoro-5-nitrobenzyl)-1H-benzimidazol-6-yl]sulfonyl}-5-(methylsulfanyl)-2-thiophenecarboximidamide [ACD/IUPAC Name]
4-{[4-Bromo-1-(2-fluoro-5-nitrobenzyl)-1H-benzimidazol-6-yl]sulfonyl}-5-(méthylsulfanyl)-2-thiophènecarboximidamide [French] [ACD/IUPAC Name]
4-{[4-bromo-1-(2-fluoro-5-nitrobenzyl)-1H-benzimidazol-6-yl]sulfonyl}-5-(methylsulfanyl)thiophene-2-carboximidamide
4-[7-bromo-3-(2-fluoro-5-nitro-benzyl)-3H-benzoimidazole-5-sulfonyl]-5-methylsulfanyl-thiophene-2-carboxamidine
CHEMBL381097
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL381097/

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

Density: 1.8±0.1 g/cm3
Boiling Point: 819.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 449.5±37.1 °C
Index of Refraction: 1.780
Molar Refractivity: 133.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 4.42
ACD/KOC (pH 5.5): 27.29
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 6.12
ACD/KOC (pH 7.4): 37.74
Polar Surface Area: 210 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 75.1±7.0 dyne/cm
Molar Volume: 318.4±7.0 cm3

Click to predict properties on the Chemicalize site


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