ChemSpider 2D Image | 1-{3-Oxo-3-[(2S)-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinyl]propyl}-3-phenyl-2(1H)-quinoxalinone | C26H28N4O3

1-{3-Oxo-3-[(2S)-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinyl]propyl}-3-phenyl-2(1H)-quinoxalinone

  • Molecular FormulaC26H28N4O3
  • Average mass444.526 Da
  • Monoisotopic mass444.216156 Da
  • ChemSpider ID24691613

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{3-Oxo-3-[(2S)-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinyl]propyl}-3-phenyl-2(1H)-chinoxalinon [German] [ACD/IUPAC Name]
1-{3-Oxo-3-[(2S)-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinyl]propyl}-3-phenyl-2(1H)-quinoxalinone [ACD/IUPAC Name]
1-{3-Oxo-3-[(2S)-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinyl]propyl}-3-phényl-2(1H)-quinoxalinone [French] [ACD/IUPAC Name]
1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one
2(1H)-Quinoxalinone, 1-[3-oxo-3-[(2S)-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinyl]propyl]-3-phenyl- [ACD/Index Name]
1-{3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl}-3-phenyl-1,2-dihydroquinoxalin-2-one
1-{3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2-one
1-{3-oxo-3-[(2S)-2-[(pyrrolidin-1-yl)carbonyl]pyrrolidin-1-yl]propyl}-3-phenyl-1,2-dihydroquinoxalin-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL459149/
X98

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.5±35.7 °C
Index of Refraction: 1.678
Molar Refractivity: 127.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.23
ACD/KOC (pH 5.5): 1166.90
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.23
ACD/KOC (pH 7.4): 1166.90
Polar Surface Area: 73 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 337.1±7.0 cm3

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