ChemSpider 2D Image | 1-[4-(Dimethylamino)-3-fluorobenzyl]-3-(tetrahydro-2H-thiopyran-4-yl)urea | C15H22FN3OS

1-[4-(Dimethylamino)-3-fluorobenzyl]-3-(tetrahydro-2H-thiopyran-4-yl)urea

  • Molecular FormulaC15H22FN3OS
  • Average mass311.418 Da
  • Monoisotopic mass311.146759 Da
  • ChemSpider ID30211222

More details:

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

1-[4-(Dimethylamino)-3-fluorbenzyl]-3-(tetrahydro-2H-thiopyran-4-yl)harnstoff [German] [ACD/IUPAC Name]
1-[4-(Dimethylamino)-3-fluorobenzyl]-3-(tetrahydro-2H-thiopyran-4-yl)urea [ACD/IUPAC Name]
1-[4-(Diméthylamino)-3-fluorobenzyl]-3-(tétrahydro-2H-thiopyrane-4-yl)urée [French] [ACD/IUPAC Name]
1333948-30-3 [RN]
Urea, N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-N'-(tetrahydro-2H-thiopyran-4-yl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 526.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.9±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 85.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 71.39
ACD/KOC (pH 5.5): 710.16
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.83
ACD/KOC (pH 7.4): 814.03
Polar Surface Area: 70 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 256.6±5.0 cm3

Click to predict properties on the Chemicalize site


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