ChemSpider 2D Image | 1-[4-(1-Aminoisoquinolin-5-Yl)phenyl]-3-(5-Tert-Butyl-1,2-Oxazol-3-Yl)urea | C23H23N5O2

1-[4-(1-Aminoisoquinolin-5-Yl)phenyl]-3-(5-Tert-Butyl-1,2-Oxazol-3-Yl)urea

  • Molecular FormulaC23H23N5O2
  • Average mass401.461 Da
  • Monoisotopic mass401.185181 Da
  • ChemSpider ID31136012

More details:

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

1-[4-(1-Amino-5-isochinolinyl)phenyl]-3-[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]harnstoff [German] [ACD/IUPAC Name]
1-[4-(1-Amino-5-isoquinoléinyl)phényl]-3-[5-(2-méthyl-2-propanyl)-1,2-oxazol-3-yl]urée [French] [ACD/IUPAC Name]
1-[4-(1-Amino-5-isoquinolinyl)phenyl]-3-[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]urea [ACD/IUPAC Name]
1-[4-(1-Aminoisoquinolin-5-Yl)phenyl]-3-(5-Tert-Butyl-1,2-Oxazol-3-Yl)urea
Urea, N-[4-(1-amino-5-isoquinolinyl)phenyl]-N'-[5-(1,1-dimethylethyl)-3-isoxazolyl]- [ACD/Index Name]
1481641-08-0 [RN]
Q1A
RIPK1-IN-4

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

Density: 1.3±0.1 g/cm3
Boiling Point: 535.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.9±30.1 °C
Index of Refraction: 1.698
Molar Refractivity: 118.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 13.59
ACD/KOC (pH 5.5): 72.35
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 408.95
ACD/KOC (pH 7.4): 2177.57
Polar Surface Area: 106 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 307.5±3.0 cm3

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