ChemSpider 2D Image | 1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA | C17H22ClN5O3

1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA

  • Molecular FormulaC17H22ClN5O3
  • Average mass379.841 Da
  • Monoisotopic mass379.141113 Da
  • ChemSpider ID25059117

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(5-Chlor-2-methoxyphenyl)-3-(6-{[(2S)-1-(dimethylamino)-2-propanyl]oxy}-2-pyrazinyl)harnstoff [German] [ACD/IUPAC Name]
1-(5-Chloro-2-methoxyphenyl)-3-(6-{[(2S)-1-(dimethylamino)-2-propanyl]oxy}-2-pyrazinyl)urea [ACD/IUPAC Name]
1-(5-Chloro-2-méthoxyphényl)-3-(6-{[(2S)-1-(diméthylamino)-2-propanyl]oxy}-2-pyrazinyl)urée [French] [ACD/IUPAC Name]
1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA
Urea, N-(5-chloro-2-methoxyphenyl)-N'-[6-[(1S)-2-(dimethylamino)-1-methylethoxy]-2-pyrazinyl]- [ACD/Index Name]
1-(5-chloro-2-methoxyphenyl)-3-(6-{[(2S)-1-(dimethylamino)propan-2-yl]oxy}pyrazin-2-yl)urea
3-(5-chloro-2-methoxyphenyl)-1-(6-{[(2S)-1-(dimethylamino)propan-2-yl]oxy}pyrazin-2-yl)urea
77A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 434.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 216.6±28.7 °C
Index of Refraction: 1.619
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.57
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 30.65
ACD/KOC (pH 7.4): 211.72
Polar Surface Area: 89 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 289.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement