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Search term: JQGHYQLEGOHXLL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3,6-Diamino-4-(2-bromophenyl)-2-(3-chlorobenzoyl)thieno[2,3-b]pyridine-5-carbonitrile | C21H12BrClN4OS

3,6-Diamino-4-(2-bromophenyl)-2-(3-chlorobenzoyl)thieno[2,3-b]pyridine-5-carbonitrile

  • Molecular FormulaC21H12BrClN4OS
  • Average mass483.768 Da
  • Monoisotopic mass481.960358 Da
  • ChemSpider ID29396768

More details:

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

3,6-Diamino-4-(2-bromophenyl)-2-(3-chlorobenzoyl)thieno[2,3-b]pyridine-5-carbonitrile [ACD/IUPAC Name]
3,6-Diamino-4-(2-bromophényl)-2-(3-chlorobenzoyl)thiéno[2,3-b]pyridine-5-carbonitrile [French] [ACD/IUPAC Name]
3,6-Diamino-4-(2-bromphenyl)-2-(3-chlorbenzoyl)thieno[2,3-b]pyridin-5-carbonitril [German] [ACD/IUPAC Name]
Thieno[2,3-b]pyridine-5-carbonitrile, 3,6-diamino-4-(2-bromophenyl)-2-(3-chlorobenzoyl)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 770.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.6±32.9 °C
Index of Refraction: 1.797
Molar Refractivity: 118.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3448.76
ACD/KOC (pH 5.5): 11826.06
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3476.82
ACD/KOC (pH 7.4): 11922.29
Polar Surface Area: 134 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 95.8±5.0 dyne/cm
Molar Volume: 278.7±5.0 cm3

Click to predict properties on the Chemicalize site


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