ChemSpider 2D Image | (8s)-9-[3,5-Bis(Fluoranyl)phenyl]-2-Morpholin-4-Yl-8-(Trifluoromethyl)-7,8-Dihydro-6h-Pyrimido[1,2-A]pyrimidin-4-One | C18H17F5N4O2

(8s)-9-[3,5-Bis(Fluoranyl)phenyl]-2-Morpholin-4-Yl-8-(Trifluoromethyl)-7,8-Dihydro-6h-Pyrimido[1,2-A]pyrimidin-4-One

  • Molecular FormulaC18H17F5N4O2
  • Average mass416.345 Da
  • Monoisotopic mass416.127167 Da
  • ChemSpider ID35035888
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(8S)-9-(3,5-Difluorophenyl)-2-(4-morpholinyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
(8S)-9-(3,5-Difluorophényl)-2-(4-morpholinyl)-8-(trifluorométhyl)-6,7,8,9-tétrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
(8S)-9-(3,5-Difluorphenyl)-2-(4-morpholinyl)-8-(trifluormethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
(8s)-9-[3,5-Bis(Fluoranyl)phenyl]-2-Morpholin-4-Yl-8-(Trifluoromethyl)-7,8-Dihydro-6h-Pyrimido[1,2-A]pyrimidin-4-One
4H-Pyrimido[1,2-a]pyrimidin-4-one, 9-(3,5-difluorophenyl)-6,7,8,9-tetrahydro-2-(4-morpholinyl)-8-(trifluoromethyl)-, (8S)- [ACD/Index Name]
EUT

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 478.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 243.0±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 92.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.21
ACD/KOC (pH 5.5): 277.83
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.21
ACD/KOC (pH 7.4): 277.83
Polar Surface Area: 48 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 268.9±7.0 cm3

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