ChemSpider 2D Image | MFCD03529199 | C25H20F3N3O4S

MFCD03529199

  • Molecular FormulaC25H20F3N3O4S
  • Average mass515.504 Da
  • Monoisotopic mass515.112671 Da
  • ChemSpider ID2682037

More details:

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

4-({[3-Amino-6-(4-méthoxyphényl)-4-(trifluorométhyl)thiéno[2,3-b]pyridin-2-yl]carbonyl}amino)benzoate d'éthyle [French] [ACD/IUPAC Name]
617694-26-5 [RN]
Benzoic acid, 4-[[[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-({[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)benzoate [ACD/IUPAC Name]
Ethyl-4-({[3-amino-6-(4-methoxyphenyl)-4-(trifluormethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)benzoat [German] [ACD/IUPAC Name]
MFCD03529199
ETHYL 4-(([3-AMINO-6-(4-METHOXYPHENYL)-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDIN-2-YL]CARBONYL)AMINO)BENZOATE
Ethyl 4-(3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamido)benzoate
ethyl 4-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-amido]benzoate
ethyl 4-{[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thiopheno[2,3-b]pyridin-2-yl]carbonylamino}benzoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 625.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.1±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 132.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 7032.63
ACD/KOC (pH 5.5): 19740.09
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 7028.45
ACD/KOC (pH 7.4): 19728.39
Polar Surface Area: 132 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 364.6±3.0 cm3

Click to predict properties on the Chemicalize site


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