ChemSpider 2D Image | 1-(2-Amino-4-pyridinyl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]-2-imidazolidinone | C23H31N5O3

1-(2-Amino-4-pyridinyl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]-2-imidazolidinone

  • Molecular FormulaC23H31N5O3
  • Average mass425.524 Da
  • Monoisotopic mass425.242676 Da
  • ChemSpider ID35035654

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(2-Amino-4-pyridinyl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]-2-imidazolidinon [German] [ACD/IUPAC Name]
1-(2-Amino-4-pyridinyl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]-2-imidazolidinone [ACD/IUPAC Name]
1-(2-Amino-4-pyridinyl)-3-[(3S)-5-{4-[(E)-(éthoxyimino)méthyl]phénoxy}-3-méthylpentyl]-2-imidazolidinone [French] [ACD/IUPAC Name]
1-(2-Aminopyridin-4-Yl)-3-[(3s)-5-{4-[(E)-(Ethoxyimino)methyl]phenoxy}-3-Methylpentyl]imidazolidin-2-One
Benzaldehyde, 4-[[(3S)-5-[3-(2-amino-4-pyridinyl)-2-oxo-1-imidazolidinyl]-3-methylpentyl]oxy]-, 1-(O-ethyloxime) [ACD/Index Name]

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

906 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 611.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.7±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 120.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 3.74
ACD/KOC (pH 5.5): 25.30
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 130.65
ACD/KOC (pH 7.4): 883.57
Polar Surface Area: 93 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 353.3±7.0 cm3

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