ChemSpider 2D Image | 4-{3-[(3S)-5-{4-[(E)-(Ethoxyimino)methyl]phenoxy}-3-methylpentyl]-2-oxo-1-imidazolidinyl}-2-pyridinecarboxamide | C24H31N5O4

4-{3-[(3S)-5-{4-[(E)-(Ethoxyimino)methyl]phenoxy}-3-methylpentyl]-2-oxo-1-imidazolidinyl}-2-pyridinecarboxamide

  • Molecular FormulaC24H31N5O4
  • Average mass453.534 Da
  • Monoisotopic mass453.237610 Da
  • ChemSpider ID35035620

  • 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

2-Pyridinecarboxamide, 4-[3-[(3S)-5-[4-[(E)-(ethoxyimino)methyl]phenoxy]-3-methylpentyl]-2-oxo-1-imidazolidinyl]- [ACD/Index Name]
4-[3-[(3s)-5-[4-[(E)-Ethoxyiminomethyl]phenoxy]-3-Methyl-Pentyl]-2-Oxidanylidene-Imidazolidin-1-Yl]pyridine-2-Carboxamide
4-{3-[(3S)-5-{4-[(E)-(Ethoxyimino)methyl]phenoxy}-3-methylpentyl]-2-oxo-1-imidazolidinyl}-2-pyridincarboxamid [German] [ACD/IUPAC Name]
4-{3-[(3S)-5-{4-[(E)-(Ethoxyimino)methyl]phenoxy}-3-methylpentyl]-2-oxo-1-imidazolidinyl}-2-pyridinecarboxamide [ACD/IUPAC Name]
4-{3-[(3S)-5-{4-[(E)-(Éthoxyimino)méthyl]phénoxy}-3-méthylpentyl]-2-oxo-1-imidazolidinyl}-2-pyridinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 640.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.9±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 125.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.94
ACD/KOC (pH 5.5): 717.93
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.76
ACD/KOC (pH 7.4): 726.55
Polar Surface Area: 110 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 366.6±7.0 cm3

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