ChemSpider 2D Image | 1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2-{[3-(1-Methylethyl)[1,2,4]triazolo[4,3-A]pyridin-6-Yl]sulfanyl}benzyl)urea | C30H33N7OS

1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2-{[3-(1-Methylethyl)[1,2,4]triazolo[4,3-A]pyridin-6-Yl]sulfanyl}benzyl)urea

  • Molecular FormulaC30H33N7OS
  • Average mass539.694 Da
  • Monoisotopic mass539.246704 Da
  • ChemSpider ID26329413

More details:

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

1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2-{[3-(1-Methylethyl)[1,2,4]triazolo[4,3-A]pyridin-6-Yl]sulfanyl}benzyl)urea
1-{2-[(3-Isopropyl[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}-3-[3-(2-methyl-2-propanyl)-1-phenyl-1H-pyrazol-5-yl]harnstoff [German] [ACD/IUPAC Name]
1-{2-[(3-Isopropyl[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}-3-[3-(2-methyl-2-propanyl)-1-phenyl-1H-pyrazol-5-yl]urea [ACD/IUPAC Name]
1-{2-[(3-Isopropyl[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}-3-[3-(2-méthyl-2-propanyl)-1-phényl-1H-pyrazol-5-yl]urée [French] [ACD/IUPAC Name]
Urea, N-[3-(1,1-dimethylethyl)-1-phenyl-1H-pyrazol-5-yl]-N'-[[2-[[3-(1-methylethyl)-1,2,4-triazolo[4,3-a]pyridin-6-yl]thio]phenyl]methyl]- [ACD/Index Name]
YIW

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: 1.664
Molar Refractivity: 159.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14644.81
ACD/KOC (pH 5.5): 33321.11
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 14722.41
ACD/KOC (pH 7.4): 33497.66
Polar Surface Area: 114 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 430.1±7.0 cm3

Click to predict properties on the Chemicalize site


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