ChemSpider 2D Image | 3-(4-Acetylphenyl)-1-{2-[5-(3-chloro-4-methoxyphenyl)-3-(4-pyridinyl)-1H-1,2,4-triazol-1-yl]ethyl}-1-cyclopentylurea | C30H31ClN6O3

3-(4-Acetylphenyl)-1-{2-[5-(3-chloro-4-methoxyphenyl)-3-(4-pyridinyl)-1H-1,2,4-triazol-1-yl]ethyl}-1-cyclopentylurea

  • Molecular FormulaC30H31ClN6O3
  • Average mass559.058 Da
  • Monoisotopic mass558.214600 Da
  • ChemSpider ID9401794

More details:

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

3-(4-Acetylphenyl)-1-{2-[5-(3-chlor-4-methoxyphenyl)-3-(4-pyridinyl)-1H-1,2,4-triazol-1-yl]ethyl}-1-cyclopentylharnstoff [German] [ACD/IUPAC Name]
3-(4-Acetylphenyl)-1-{2-[5-(3-chloro-4-methoxyphenyl)-3-(4-pyridinyl)-1H-1,2,4-triazol-1-yl]ethyl}-1-cyclopentylurea [ACD/IUPAC Name]
3-(4-Acétylphényl)-1-{2-[5-(3-chloro-4-méthoxyphényl)-3-(4-pyridinyl)-1H-1,2,4-triazol-1-yl]éthyl}-1-cyclopentylurée [French] [ACD/IUPAC Name]
Urea, N'-(4-acetylphenyl)-N-[2-[5-(3-chloro-4-methoxyphenyl)-3-(4-pyridinyl)-1H-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 155.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5484.01
ACD/KOC (pH 5.5): 16520.85
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5484.26
ACD/KOC (pH 7.4): 16521.61
Polar Surface Area: 102 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 421.2±7.0 cm3

Click to predict properties on the Chemicalize site


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