ChemSpider 2D Image | 4-(7-Chloro-4-quinolinyl)-N-[(3S)-1-(4-fluorobenzyl)-2-oxo-3-azepanyl]-1-piperazinecarboxamide | C27H29ClFN5O2

4-(7-Chloro-4-quinolinyl)-N-[(3S)-1-(4-fluorobenzyl)-2-oxo-3-azepanyl]-1-piperazinecarboxamide

  • Molecular FormulaC27H29ClFN5O2
  • Average mass510.003 Da
  • Monoisotopic mass509.199371 Da
  • ChemSpider ID9930751

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazinecarboxamide, 4-(7-chloro-4-quinolinyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]hexahydro-2-oxo-1H-azepin-3-yl]- [ACD/Index Name]
4-(7-Chlor-4-chinolinyl)-N-[(3S)-1-(4-fluorbenzyl)-2-oxo-3-azepanyl]-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-(7-Chloro-4-quinoléinyl)-N-[(3S)-1-(4-fluorobenzyl)-2-oxo-3-azépanyl]-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
4-(7-Chloro-4-quinolinyl)-N-[(3S)-1-(4-fluorobenzyl)-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: 1.4±0.1 g/cm3
Boiling Point: 785.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 428.8±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 10.99
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 44.35
ACD/KOC (pH 7.4): 302.68
Polar Surface Area: 69 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 370.2±5.0 cm3

Click to predict properties on the Chemicalize site


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