ChemSpider 2D Image | 3-Amino-N-(1,3-benzodioxol-5-ylmethyl)-6-(3,4-dimethoxybenzyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide | C26H22F3N3O5S

3-Amino-N-(1,3-benzodioxol-5-ylmethyl)-6-(3,4-dimethoxybenzyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

  • Molecular FormulaC26H22F3N3O5S
  • Average mass545.530 Da
  • Monoisotopic mass545.123230 Da
  • ChemSpider ID17479061

More details:

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

3-Amino-N-(1,3-benzodioxol-5-ylmethyl)-6-(3,4-dimethoxybenzyl)-4-(trifluormethyl)thieno[2,3-b]pyridin-2-carboxamid [German] [ACD/IUPAC Name]
3-Amino-N-(1,3-benzodioxol-5-ylmethyl)-6-(3,4-dimethoxybenzyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide [ACD/IUPAC Name]
3-Amino-N-(1,3-benzodioxol-5-ylméthyl)-6-(3,4-diméthoxybenzyl)-4-(trifluorométhyl)thiéno[2,3-b]pyridine-2-carboxamide [French] [ACD/IUPAC Name]
Thieno[2,3-b]pyridine-2-carboxamide, 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-6-[(3,4-dimethoxyphenyl)methyl]-4-(trifluoromethyl)- [ACD/Index Name]
3-amino-N-(2H-1,3-benzodioxol-5-ylmethyl)-6-[(3,4-dimethoxyphenyl)methyl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
3-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[(3,4-dimethoxyphenyl)methyl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
939889-19-7 [RN]
MFCD09757798 [MDL number]
SS-1018

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

Density: 1.4±0.1 g/cm3
Boiling Point: 705.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.5±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 605.63
ACD/KOC (pH 5.5): 3412.38
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 605.87
ACD/KOC (pH 7.4): 3413.71
Polar Surface Area: 133 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 381.7±3.0 cm3

Click to predict properties on the Chemicalize site


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