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Search term: MZGQVTBIULKWER (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-[5-t-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]urea | C27H31N5O2S

1-[5-t-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]urea

  • Molecular FormulaC27H31N5O2S
  • Average mass489.632 Da
  • Monoisotopic mass489.219849 Da
  • ChemSpider ID26329448

More details:






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

1-[5-t-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]urea
1-{4-[2-(Benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[1-(4-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]harnstoff [German] [ACD/IUPAC Name]
1-{4-[2-(Benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[1-(4-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]urea [ACD/IUPAC Name]
1-{4-[2-(Benzyloxy)éthyl]-1,3-thiazol-2-yl}-3-[1-(4-méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]urée [French] [ACD/IUPAC Name]
Urea, N-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[4-[2-(phenylmethoxy)ethyl]-2-thiazolyl]- [ACD/Index Name]
1-{4-[2-(Benzyloxy)ethyl]-1,3-Thiazol-2-Yl}-3-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]urea
N-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-N'-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea
Z85
  • Miscellaneous
    • Chemical Class:

      A member of the class of ureas obtained by formal condensation of the carboxy group of [3-<ital>tert</ital>-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamic acid with the amino group of 4-[2-(benzyloxy)e thyl]-1,3-thiazol-2-amine. ChEBI CHEBI:90539
      A member of the class of ureas obtained by formal condensation of the carboxy group of [3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamic acid with the amino group of 4-[2-(benzyloxy)ethyl]-1,3-thi azol-2-amine. ChEBI CHEBI:90539

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 142.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 14705.34
ACD/KOC (pH 5.5): 29753.49
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 744.14
ACD/KOC (pH 7.4): 1505.63
Polar Surface Area: 109 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 402.5±7.0 cm3

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