ChemSpider 2D Image | Ethyl 2-{[3-(4-benzyl-1-piperidinyl)-2-quinoxalinyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C31H34N4O2S

Ethyl 2-{[3-(4-benzyl-1-piperidinyl)-2-quinoxalinyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC31H34N4O2S
  • Average mass526.692 Da
  • Monoisotopic mass526.240234 Da
  • ChemSpider ID1735855

More details:

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

2-{[3-(4-Benzyl-1-pipéridinyl)-2-quinoxalinyl]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-[[3-[4-(phenylmethyl)-1-piperidinyl]-2-quinoxalinyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-{[3-(4-benzyl-1-piperidinyl)-2-quinoxalinyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-{[3-(4-benzyl-1-piperidinyl)-2-chinoxalinyl]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]

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

ZINC03195829 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 680.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.2±31.5 °C
Index of Refraction: 1.666
Molar Refractivity: 155.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.68
ACD/LogD (pH 5.5): 7.92
ACD/BCF (pH 5.5): 491228.13
ACD/KOC (pH 5.5): 316106.28
ACD/LogD (pH 7.4): 8.32
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 790669.50
Polar Surface Area: 96 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 417.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement