ChemSpider 2D Image | 1-[1-{4-[(Dimethylsulfamoyl)(2-hydroxyethyl)amino]phenyl}-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-[4-(4-pyridinyloxy)phenyl]urea | C29H35N7O5S

1-[1-{4-[(Dimethylsulfamoyl)(2-hydroxyethyl)amino]phenyl}-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-[4-(4-pyridinyloxy)phenyl]urea

  • Molecular FormulaC29H35N7O5S
  • Average mass593.697 Da
  • Monoisotopic mass593.242065 Da
  • ChemSpider ID9796055

More details:

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

1-[1-{4-[(Dimethylsulfamoyl)(2-hydroxyethyl)amino]phenyl}-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-[4-(4-pyridinyloxy)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-[1-{4-[(Dimethylsulfamoyl)(2-hydroxyethyl)amino]phenyl}-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-[4-(4-pyridinyloxy)phenyl]urea [ACD/IUPAC Name]
1-[1-{4-[(Diméthylsulfamoyl)(2-hydroxyéthyl)amino]phényl}-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]-3-[4-(4-pyridinyloxy)phényl]urée [French] [ACD/IUPAC Name]
Urea, N-[1-[4-[[(dimethylamino)sulfonyl](2-hydroxyethyl)amino]phenyl]-3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]-N'-[4-(4-pyridinyloxy)phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 374.9±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 162.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 75.03
ACD/KOC (pH 5.5): 543.90
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 241.91
ACD/KOC (pH 7.4): 1753.76
Polar Surface Area: 150 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 458.0±7.0 cm3

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