Found 139 results

Search term: MF = 'C_{28}H_{48}N_{2}O_{2}'
ChemSpider 2D Image | (4aR,4bS,6aS,7S,9aS,9bS)-1,4a,6a-Trimethyl-N-octyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide | C28H48N2O2

(4aR,4bS,6aS,7S,9aS,9bS)-1,4a,6a-Trimethyl-N-octyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide

  • Molecular FormulaC28H48N2O2
  • Average mass444.693 Da
  • Monoisotopic mass444.371582 Da
  • ChemSpider ID58131423

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(4aR,4bS,6aS,7S,9aS,9bS)-1,4a,6a-Trimethyl-N-octyl-2-oxohexadecahydro-1H-indeno[5,4-f]chinolin-7-carboxamid [German] [ACD/IUPAC Name]
(4aR,4bS,6aS,7S,9aS,9bS)-1,4a,6a-Triméthyl-N-octyl-2-oxohexadécahydro-1H-indéno[5,4-f]quinoléine-7-carboxamide [French] [ACD/IUPAC Name]
(4aR,4bS,6aS,7S,9aS,9bS)-1,4a,6a-Trimethyl-N-octyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide [ACD/IUPAC Name]
1H-Indeno[5,4-f]quinoline-7-carboxamide, hexadecahydro-1,4a,6a-trimethyl-N-octyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3349105/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 602.7±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.3±28.4 °C
Index of Refraction: 1.510
Molar Refractivity: 130.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 6.33
ACD/BCF (pH 5.5): 38293.97
ACD/KOC (pH 5.5): 66403.03
ACD/LogD (pH 7.4): 6.33
ACD/BCF (pH 7.4): 38294.05
ACD/KOC (pH 7.4): 66403.18
Polar Surface Area: 49 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 437.3±3.0 cm3

Click to predict properties on the Chemicalize site


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