ChemSpider 2D Image | 1-{4-Chloro-2-hydroxy-3-[(3R)-3-piperidinylsulfonyl]phenyl}-3-(3-fluoro-2-methylphenyl)urea | C19H21ClFN3O4S

1-{4-Chloro-2-hydroxy-3-[(3R)-3-piperidinylsulfonyl]phenyl}-3-(3-fluoro-2-methylphenyl)urea

  • Molecular FormulaC19H21ClFN3O4S
  • Average mass441.904 Da
  • Monoisotopic mass441.092529 Da
  • ChemSpider ID114391293

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{4-Chlor-2-hydroxy-3-[(3R)-3-piperidinylsulfonyl]phenyl}-3-(3-fluor-2-methylphenyl)harnstoff [German] [ACD/IUPAC Name]
1-{4-Chloro-2-hydroxy-3-[(3R)-3-piperidinylsulfonyl]phenyl}-3-(3-fluoro-2-methylphenyl)urea [ACD/IUPAC Name]
1-{4-Chloro-2-hydroxy-3-[(3R)-3-pipéridinylsulfonyl]phényl}-3-(3-fluoro-2-méthylphényl)urée [French] [ACD/IUPAC Name]
Urea, N-[4-chloro-2-hydroxy-3-[(3R)-3-piperidinylsulfonyl]phenyl]-N'-(3-fluoro-2-methylphenyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 533.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 276.2±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 108.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 7.99
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.29
ACD/KOC (pH 7.4): 8.53
Polar Surface Area: 116 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 301.0±3.0 cm3

Click to predict properties on the Chemicalize site


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