ChemSpider 2D Image | 9-(Cyclopropylethynyl)-2-[(2S)-1,4-dioxan-2-ylmethoxy]-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one | C22H22N2O4

9-(Cyclopropylethynyl)-2-[(2S)-1,4-dioxan-2-ylmethoxy]-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one

  • Molecular FormulaC22H22N2O4
  • Average mass378.421 Da
  • Monoisotopic mass378.157959 Da
  • ChemSpider ID58906524

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4H-Pyrimido[6,1-a]isoquinolin-4-one, 9-(2-cyclopropylethynyl)-2-[(2S)-1,4-dioxan-2-ylmethoxy]-6,7-dihydro- [ACD/Index Name]
9-(Cyclopropylethinyl)-2-[(2S)-1,4-dioxan-2-ylmethoxy]-6,7-dihydro-4H-pyrimido[6,1-a]isochinolin-4-on [German] [ACD/IUPAC Name]
9-(Cyclopropyléthynyl)-2-[(2S)-1,4-dioxan-2-ylméthoxy]-6,7-dihydro-4H-pyrimido[6,1-a]isoquinoléin-4-one [French] [ACD/IUPAC Name]
9-(Cyclopropylethynyl)-2-[(2S)-1,4-dioxan-2-ylmethoxy]-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one [ACD/IUPAC Name]
(S)-2-((1,4-Dioxan-2-yl)methoxy)-9-(cyclopropylethynyl)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
1445847-37-9 [RN]
4H-Pyrimido(6,1-a)isoquinolin-4-one, 9-(2-cyclopropylethynyl)-2-((2S)-1,4-dioxan-2-ylmethoxy)-6,7-dihydro-
9-(2-cyclopropylethynyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
GLPG1205

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

Density: 1.4±0.1 g/cm3
Boiling Point: 579.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.3±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 103.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 75.92
ACD/KOC (pH 5.5): 771.76
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 75.97
ACD/KOC (pH 7.4): 772.31
Polar Surface Area: 60 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 276.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement