ChemSpider 2D Image | Ethyl 2-({[2-oxo-1-(4-piperidinyl)-2-{[2-(trifluoromethyl)phenyl]amino}ethyl]carbamoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C26H31F3N4O4S

Ethyl 2-({[2-oxo-1-(4-piperidinyl)-2-{[2-(trifluoromethyl)phenyl]amino}ethyl]carbamoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC26H31F3N4O4S
  • Average mass552.609 Da
  • Monoisotopic mass552.201782 Da
  • ChemSpider ID8304388

More details:

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

2-({[2-Oxo-1-(4-pipéridinyl)-2-{[2-(trifluorométhyl)phényl]amino}éthyl]carbamoyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[[2-oxo-1-(4-piperidinyl)-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]amino]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-({[2-oxo-1-(4-piperidinyl)-2-{[2-(trifluoromethyl)phenyl]amino}ethyl]carbamoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-({[2-oxo-1-(4-piperidinyl)-2-{[2-(trifluormethyl)phenyl]amino}ethyl]carbamoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 708.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.3±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 4.01
ACD/KOC (pH 5.5): 12.47
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 13.99
ACD/KOC (pH 7.4): 43.56
Polar Surface Area: 137 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 409.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement