ChemSpider 2D Image | Ethyl 4-{4-[(4-cyanophenyl)carbamoyl]-1-piperazinyl}-7-[3-(1,1-dioxido-4-thiomorpholinyl)propoxy]-6-methoxy-3-quinolinecarboxylate | C32H38N6O7S

Ethyl 4-{4-[(4-cyanophenyl)carbamoyl]-1-piperazinyl}-7-[3-(1,1-dioxido-4-thiomorpholinyl)propoxy]-6-methoxy-3-quinolinecarboxylate

  • Molecular FormulaC32H38N6O7S
  • Average mass650.745 Da
  • Monoisotopic mass650.252258 Da
  • ChemSpider ID8480465

More details:

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

3-Quinolinecarboxylic acid, 4-[4-[[(4-cyanophenyl)amino]carbonyl]-1-piperazinyl]-7-[3-(1,1-dioxido-4-thiomorpholinyl)propoxy]-6-methoxy-, ethyl ester [ACD/Index Name]
4-{4-[(4-Cyanophényl)carbamoyl]-1-pipérazinyl}-7-[3-(1,1-dioxydo-4-thiomorpholinyl)propoxy]-6-méthoxy-3-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{4-[(4-cyanophenyl)carbamoyl]-1-piperazinyl}-7-[3-(1,1-dioxido-4-thiomorpholinyl)propoxy]-6-methoxy-3-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{4-[(4-cyanphenyl)carbamoyl]-1-piperazinyl}-7-[3-(1,1-dioxido-4-thiomorpholinyl)propoxy]-6-methoxy-3-chinolincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 915.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.3±3.0 kJ/mol
Flash Point: 507.7±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 170.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.02
Polar Surface Area: 163 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 74.7±5.0 dyne/cm
Molar Volume: 462.8±5.0 cm3

Click to predict properties on the Chemicalize site


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