Found 6 results

Search term: MF = 'C_{28}H_{29}F_{5}N_{4}O_{3}'
ChemSpider 2D Image | N-[(3R,6S)-6-(2,3-Difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-azepanyl]-2'-oxo-1',4'-dihydro-1H,2'H-spiro[piperidine-4,3'-quinoline]-1-carboxamide | C28H29F5N4O3

N-[(3R,6S)-6-(2,3-Difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-azepanyl]-2'-oxo-1',4'-dihydro-1H,2'H-spiro[piperidine-4,3'-quinoline]-1-carboxamide

  • Molecular FormulaC28H29F5N4O3
  • Average mass564.547 Da
  • Monoisotopic mass564.216003 Da
  • ChemSpider ID9888570

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N-[(3R,6S)-6-(2,3-Difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-azepanyl]-2'-oxo-1',4'-dihydro-1H,2'H-spiro[piperidine-4,3'-quinoline]-1-carboxamide [ACD/IUPAC Name]
N-[(3R,6S)-6-(2,3-Difluorophényl)-2-oxo-1-(2,2,2-trifluoroéthyl)-3-azépanyl]-2'-oxo-1',4'-dihydro-1H,2'H-spiro[piperidine-4,3'-quinoline]-1-carboxamide [French] [ACD/IUPAC Name]
N-[(3R,6S)-6-(2,3-Difluorphenyl)-2-oxo-1-(2,2,2-trifluorethyl)-3-azepanyl]-2'-oxo-1',4'-dihydro-1H,2'H-spiro[piperidine-4,3'-quinoline]-1-carboxamid [German] [ACD/IUPAC Name]
Spiro[piperidine-4,3'(2'H)-quinoline]-1-carboxamide, N-[(3R,6S)-6-(2,3-difluorophenyl)hexahydro-2-oxo-1-(2,2,2-trifluoroethyl)-1H-azepin-3-yl]-1',4'-dihydro-2'-oxo- [ACD/Index 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: 745.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 404.6±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 135.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1066.86
ACD/KOC (pH 5.5): 5118.11
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1066.75
ACD/KOC (pH 7.4): 5117.59
Polar Surface Area: 82 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 397.3±5.0 cm3

Click to predict properties on the Chemicalize site


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