ChemSpider 2D Image | 2-Methyl-2-propanyl (4-{5-[({2-[(7-chloro-4-quinolinyl)amino]ethyl}amino)methyl]-2-thienyl}phenyl)carbamate | C27H29ClN4O2S

2-Methyl-2-propanyl (4-{5-[({2-[(7-chloro-4-quinolinyl)amino]ethyl}amino)methyl]-2-thienyl}phenyl)carbamate

  • Molecular FormulaC27H29ClN4O2S
  • Average mass509.063 Da
  • Monoisotopic mass508.169983 Da
  • ChemSpider ID58968917

More details:

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

(4-{5-[({2-[(7-Chloro-4-quinoléinyl)amino]éthyl}amino)méthyl]-2-thiényl}phényl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (4-{5-[({2-[(7-chloro-4-quinolinyl)amino]ethyl}amino)methyl]-2-thienyl}phenyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(4-{5-[({2-[(7-chlor-4-chinolinyl)amino]ethyl}amino)methyl]-2-thienyl}phenyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[4-[5-[[[2-[(7-chloro-4-quinolinyl)amino]ethyl]amino]methyl]-2-thienyl]phenyl]-, 1,1-dimethylethyl ester [ACD/Index 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: 641.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.7±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 146.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 24.77
ACD/KOC (pH 5.5): 48.10
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 5955.65
ACD/KOC (pH 7.4): 11564.82
Polar Surface Area: 104 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 394.5±3.0 cm3

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