ChemSpider 2D Image | 1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-{4-[2-(Pyridin-3-Ylmethoxy)ethyl]-1,3-Thiazol-2-Yl}urea | C26H30N6O2S

1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-{4-[2-(Pyridin-3-Ylmethoxy)ethyl]-1,3-Thiazol-2-Yl}urea

  • Molecular FormulaC26H30N6O2S
  • Average mass490.620 Da
  • Monoisotopic mass490.215088 Da
  • ChemSpider ID26326562

More details:






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

1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-{4-[2-(3-pyridinylmethoxy)ethyl]-1,3-thiazol-2-yl}harnstoff [German] [ACD/IUPAC Name]
1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-{4-[2-(3-pyridinylmethoxy)ethyl]-1,3-thiazol-2-yl}urea [ACD/IUPAC Name]
1-[1-(4-Méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]-3-{4-[2-(3-pyridinylméthoxy)éthyl]-1,3-thiazol-2-yl}urée [French] [ACD/IUPAC Name]
1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-{4-[2-(Pyridin-3-Ylmethoxy)ethyl]-1,3-Thiazol-2-Yl}urea
Urea, N-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[4-[2-(3-pyridinylmethoxy)ethyl]-2-thiazolyl]- [ACD/Index Name]
DG7

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 141.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2302.45
ACD/KOC (pH 5.5): 7567.60
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 133.43
ACD/KOC (pH 7.4): 438.56
Polar Surface Area: 122 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 391.1±7.0 cm3

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