ChemSpider 2D Image | 3-Adamantan-1-yl-1-(2-methoxyethyl)-1-{2-oxo-2-[1-(3-phenoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]ethyl}urea | C35H42N4O4

3-Adamantan-1-yl-1-(2-methoxyethyl)-1-{2-oxo-2-[1-(3-phenoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]ethyl}urea

  • Molecular FormulaC35H42N4O4
  • Average mass582.732 Da
  • Monoisotopic mass582.320618 Da
  • ChemSpider ID3790468

More details:

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

3-Adamantan-1-yl-1-(2-methoxyethyl)-1-{2-oxo-2-[1-(3-phenoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]ethyl}harnstoff [German] [ACD/IUPAC Name]
3-Adamantan-1-yl-1-(2-methoxyethyl)-1-{2-oxo-2-[1-(3-phenoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]ethyl}urea [ACD/IUPAC Name]
3-Adamantan-1-yl-1-(2-méthoxyéthyl)-1-{2-oxo-2-[1-(3-phénoxyphényl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]éthyl}urée [French] [ACD/IUPAC Name]
Urea, N-[2-[3,4-dihydro-1-(3-phenoxyphenyl)pyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl]-N-(2-methoxyethyl)-N'-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 787.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 429.8±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 165.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.79
ACD/LogD (pH 5.5): 6.16
ACD/BCF (pH 5.5): 28250.98
ACD/KOC (pH 5.5): 53411.46
ACD/LogD (pH 7.4): 6.16
ACD/BCF (pH 7.4): 28250.71
ACD/KOC (pH 7.4): 53410.93
Polar Surface Area: 76 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 444.5±7.0 cm3

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