ChemSpider 2D Image | 4-(2-Amino-7-chloro-4-quinolinyl)-N-[(3S)-1-(2,2-dimethylpropanoyl)-2-oxo-3-azepanyl]-1-piperazinecarboxamide | C25H33ClN6O3

4-(2-Amino-7-chloro-4-quinolinyl)-N-[(3S)-1-(2,2-dimethylpropanoyl)-2-oxo-3-azepanyl]-1-piperazinecarboxamide

  • Molecular FormulaC25H33ClN6O3
  • Average mass501.021 Da
  • Monoisotopic mass500.230255 Da
  • ChemSpider ID8589097

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazinecarboxamide, 4-(2-amino-7-chloro-4-quinolinyl)-N-[(3S)-1-(2,2-dimethyl-1-oxopropyl)hexahydro-2-oxo-1H-azepin-3-yl]- [ACD/Index Name]
4-(2-Amino-7-chlor-4-chinolinyl)-N-[(3S)-1-(2,2-dimethylpropanoyl)-2-oxo-3-azepanyl]-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-(2-Amino-7-chloro-4-quinoléinyl)-N-[(3S)-1-(2,2-diméthylpropanoyl)-2-oxo-3-azépanyl]-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
4-(2-Amino-7-chloro-4-quinolinyl)-N-[(3S)-1-(2,2-dimethylpropanoyl)-2-oxo-3-azepanyl]-1-piperazinecarboxamide [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: 782.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 427.2±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 136.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.04
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.63
Polar Surface Area: 112 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 371.9±5.0 cm3

Click to predict properties on the Chemicalize site


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