ChemSpider 2D Image | 3-Amino-N-{3-[(4-fluorobenzyl)sulfanyl]propyl}-1-pyrrolidinecarboxamide | C15H22FN3OS

3-Amino-N-{3-[(4-fluorobenzyl)sulfanyl]propyl}-1-pyrrolidinecarboxamide

  • Molecular FormulaC15H22FN3OS
  • Average mass311.418 Da
  • Monoisotopic mass311.146759 Da
  • ChemSpider ID62724728

More details:

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

1-Pyrrolidinecarboxamide, 3-amino-N-[3-[[(4-fluorophenyl)methyl]thio]propyl]- [ACD/Index Name]
3-Amino-N-{3-[(4-fluorbenzyl)sulfanyl]propyl}-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
3-Amino-N-{3-[(4-fluorobenzyl)sulfanyl]propyl}-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
3-Amino-N-{3-[(4-fluorobenzyl)sulfanyl]propyl}-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
3-amino-N-{3-[(4-fluorobenzyl)thio]propyl}pyrrolidine-1-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 527.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.9±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 15.35
Polar Surface Area: 84 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 255.8±3.0 cm3

Click to predict properties on the Chemicalize site


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