ChemSpider 2D Image | (4R,4a'S,10a'S)-2-Amino-8'-(2-fluoro-3-pyridinyl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one | C20H19FN4O3

(4R,4a'S,10a'S)-2-Amino-8'-(2-fluoro-3-pyridinyl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one

  • Molecular FormulaC20H19FN4O3
  • Average mass382.388 Da
  • Monoisotopic mass382.144104 Da
  • ChemSpider ID31134822

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,4a'S,10a'S)-2-Amino-8'-(2-fluoro-3-pyridinyl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one [ACD/IUPAC Name]
(4r,4a's,10a's)-2-Amino-8'-(2-Fluoropyridin-3-Yl)-1-Methyl-3',4',4a',10a'-Tetrahydro-1'h-Spiro[imidazole-4,10'-Pyrano[4,3-B]chromen]-5(1h)-One
Spiro[4H-imidazole-4,10'-[1H,10H]pyrano[4,3-b][1]benzopyran]-5(1H)-one, 2-amino-8'-(2-fluoro-3-pyridinyl)-3',4',4'a,10'a-tetrahydro-1-methyl-, (4R,4a'S,10a'S)- [ACD/Index Name]
1369626-86-7 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 600.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 317.2±34.3 °C
Index of Refraction: 1.724
Molar Refractivity: 97.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.48
ACD/KOC (pH 5.5): 198.93
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.61
ACD/KOC (pH 7.4): 201.35
Polar Surface Area: 90 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 246.5±7.0 cm3

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