Found 1 result

Search term: CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccccc34)cc2)n(n1)-c1cccc(N)c1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 1-[1-(3-Aminophenyl)-3-Tert-Butyl-1h-Pyrazol-5-Yl]-3-[4-(Quinazolin-4-Ylamino)phenyl]urea | C28H28N8O

1-[1-(3-Aminophenyl)-3-Tert-Butyl-1h-Pyrazol-5-Yl]-3-[4-(Quinazolin-4-Ylamino)phenyl]urea

  • Molecular FormulaC28H28N8O
  • Average mass492.575 Da
  • Monoisotopic mass492.238617 Da
  • ChemSpider ID30831845

More details:

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

1-[1-(3-Aminophenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-[4-(4-chinazolinylamino)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-[1-(3-Aminophenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-[4-(4-quinazolinylamino)phenyl]urea [ACD/IUPAC Name]
1-[1-(3-Aminophényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]-3-[4-(4-quinazolinylamino)phényl]urée [French] [ACD/IUPAC Name]
1-[1-(3-Aminophenyl)-3-Tert-Butyl-1h-Pyrazol-5-Yl]-3-[4-(Quinazolin-4-Ylamino)phenyl]urea
Urea, N-[1-(3-aminophenyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]-N'-[4-(4-quinazolinylamino)phenyl]- [ACD/Index Name]
AQU

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

Density: 1.3±0.1 g/cm3
Boiling Point: 635.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 337.9±31.5 °C
Index of Refraction: 1.691
Molar Refractivity: 143.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 635.59
ACD/KOC (pH 5.5): 2762.76
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1481.00
ACD/KOC (pH 7.4): 6437.51
Polar Surface Area: 123 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 376.0±7.0 cm3

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