ChemSpider 2D Image | 3-(3-Chlorophenyl)-1-(4-fluorobenzyl)-1-[3-(4-morpholinyl)propyl]thiourea | C21H25ClFN3OS

3-(3-Chlorophenyl)-1-(4-fluorobenzyl)-1-[3-(4-morpholinyl)propyl]thiourea

  • Molecular FormulaC21H25ClFN3OS
  • Average mass421.959 Da
  • Monoisotopic mass421.139099 Da
  • ChemSpider ID28281545

More details:

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

3-(3-Chlorophenyl)-1-(4-fluorobenzyl)-1-[3-(4-morpholinyl)propyl]thiourea [ACD/IUPAC Name]
3-(3-Chlorophényl)-1-(4-fluorobenzyl)-1-[3-(4-morpholinyl)propyl]thiourée [French] [ACD/IUPAC Name]
3-(3-Chlorphenyl)-1-(4-fluorbenzyl)-1-[3-(4-morpholinyl)propyl]thioharnstoff [German] [ACD/IUPAC Name]
Thiourea, N'-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-[3-(4-morpholinyl)propyl]- [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: 539.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.1±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 116.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 26.34
ACD/KOC (pH 5.5): 132.29
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 633.82
ACD/KOC (pH 7.4): 3183.12
Polar Surface Area: 60 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 328.6±3.0 cm3

Click to predict properties on the Chemicalize site


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