ChemSpider 2D Image | N-(Adamantan-1-yl)-4-oxo-1-pentyl-7-(phenylsulfanyl)-1,4-dihydro-3-quinolinecarboxamide | C31H36N2O2S

N-(Adamantan-1-yl)-4-oxo-1-pentyl-7-(phenylsulfanyl)-1,4-dihydro-3-quinolinecarboxamide

  • Molecular FormulaC31H36N2O2S
  • Average mass500.695 Da
  • Monoisotopic mass500.249756 Da
  • ChemSpider ID24708965

More details:

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

3-Quinolinecarboxamide, 1,4-dihydro-4-oxo-1-pentyl-7-(phenylthio)-N-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
N-(Adamantan-1-yl)-4-oxo-1-pentyl-7-(phenylsulfanyl)-1,4-dihydro-3-chinolincarboxamid [German] [ACD/IUPAC Name]
N-(Adamantan-1-yl)-4-oxo-1-pentyl-7-(phénylsulfanyl)-1,4-dihydro-3-quinoléinecarboxamide [French] [ACD/IUPAC Name]
N-(Adamantan-1-yl)-4-oxo-1-pentyl-7-(phenylsulfanyl)-1,4-dihydro-3-quinolinecarboxamide [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL498527/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.7±31.5 °C
Index of Refraction: 1.655
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 7.08
ACD/BCF (pH 5.5): 141900.28
ACD/KOC (pH 5.5): 169576.56
ACD/LogD (pH 7.4): 7.08
ACD/BCF (pH 7.4): 141894.83
ACD/KOC (pH 7.4): 169570.05
Polar Surface Area: 75 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 399.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement