ChemSpider 2D Image | Methyl 2-({1,1,1-trifluoro-3-methoxy-2-[(2-methoxybenzoyl)amino]-3-oxo-2-propanyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C22H23F3N2O6S

Methyl 2-({1,1,1-trifluoro-3-methoxy-2-[(2-methoxybenzoyl)amino]-3-oxo-2-propanyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC22H23F3N2O6S
  • Average mass500.488 Da
  • Monoisotopic mass500.122894 Da
  • ChemSpider ID12943808

More details:

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

2-({1,1,1-Trifluoro-3-méthoxy-2-[(2-méthoxybenzoyl)amino]-3-oxo-2-propanyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2,2,2-trifluoro-1-[(2-methoxybenzoyl)amino]-1-(methoxycarbonyl)ethyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-({1,1,1-trifluoro-3-methoxy-2-[(2-methoxybenzoyl)amino]-3-oxo-2-propanyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Methyl 2-({1,1,1-trifluoro-3-methoxy-2-[(2-methoxybenzoyl)amino]-3-oxopropan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Methyl-2-({1,1,1-trifluor-3-methoxy-2-[(2-methoxybenzoyl)amino]-3-oxo-2-propanyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
methyl 2-[(1,1,1-trifluoro-3-methoxy-2-{[(2-methoxyphenyl)carbonyl]amino}-3-oxopropan-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 3,3,3-trifluoro-2-{[3-(methoxycarbonyl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)]amino}-2-[(2-methoxyphenyl)carbonylamino]propanoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 660.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.3±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 118.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.55
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 30203.96
ACD/KOC (pH 5.5): 56028.96
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 30167.21
ACD/KOC (pH 7.4): 55960.79
Polar Surface Area: 131 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 361.3±3.0 cm3

Click to predict properties on the Chemicalize site


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