Found 1 result

Search term: MF = 'C_{21}H_{11}BrCl_{2}N_{4}OS'
ChemSpider 2D Image | 3,6-Diamino-4-(2-bromophenyl)-2-(3,4-dichlorobenzoyl)thieno[2,3-b]pyridine-5-carbonitrile | C21H11BrCl2N4OS

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

  • Molecular FormulaC21H11BrCl2N4OS
  • Average mass518.213 Da
  • Monoisotopic mass515.921387 Da
  • ChemSpider ID29397314

More details:

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

3,6-Diamino-4-(2-bromophenyl)-2-(3,4-dichlorobenzoyl)thieno[2,3-b]pyridine-5-carbonitrile [ACD/IUPAC Name]
3,6-Diamino-4-(2-bromophényl)-2-(3,4-dichlorobenzoyl)thiéno[2,3-b]pyridine-5-carbonitrile [French] [ACD/IUPAC Name]
3,6-Diamino-4-(2-bromphenyl)-2-(3,4-dichlorbenzoyl)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-(3,4-dichlorobenzoyl)- [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: 795.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 435.0±32.9 °C
Index of Refraction: 1.799
Molar Refractivity: 123.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8111.68
ACD/KOC (pH 5.5): 21825.44
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8161.74
ACD/KOC (pH 7.4): 21960.12
Polar Surface Area: 134 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 97.2±5.0 dyne/cm
Molar Volume: 289.5±5.0 cm3

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