ChemSpider 2D Image | (6S)-1-Chloro-3-[(4-fluorobenzyl)oxy]-6-(1-pyrrolidinylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one | C19H17ClFN3O3

(6S)-1-Chloro-3-[(4-fluorobenzyl)oxy]-6-(1-pyrrolidinylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one

  • Molecular FormulaC19H17ClFN3O3
  • Average mass389.808 Da
  • Monoisotopic mass389.094238 Da
  • ChemSpider ID25057581

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-1-Chlor-3-[(4-fluorbenzyl)oxy]-6-(1-pyrrolidinylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-on [German] [ACD/IUPAC Name]
(6S)-1-Chloro-3-[(4-fluorobenzyl)oxy]-6-(1-pyrrolidinylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one [ACD/IUPAC Name]
(6S)-1-Chloro-3-[(4-fluorobenzyl)oxy]-6-(1-pyrrolidinylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one [French] [ACD/IUPAC Name]
(6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one
Pyrrolo[1,2-a]pyrazin-4(6H)-one, 1-chloro-3-[(4-fluorophenyl)methoxy]-6-(1-pyrrolidinylcarbonyl)-, (6S)- [ACD/Index Name]
(6S)-1-chloro-3-[(4-fluorophenyl)methoxy]-6-(pyrrolidine-1-carbonyl)-4H,6H-pyrrolo[1,2-a]pyrazin-4-one
(6S)-1-chloro-3-[(4-fluorophenyl)methoxy]-6-(pyrrolidine-1-carbonyl)-6H-pyrrolo[1,2-a]pyrazin-4-one
(6S)-1-chloro-3-[(4-fluorophenyl)methoxy]-6-[(pyrrolidin-1-yl)carbonyl]-4H,6H-pyrrolo[1,2-a]pyrazin-4-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 572.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.2±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 98.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.68
ACD/KOC (pH 5.5): 226.33
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.69
ACD/KOC (pH 7.4): 226.43
Polar Surface Area: 62 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 263.9±7.0 cm3

Click to predict properties on the Chemicalize site


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