ChemSpider 2D Image | (2S)-4-(4-Fluorobenzyl)-N-(3-sulfanylpropyl)-2-piperazinecarboxamide | C15H22FN3OS

(2S)-4-(4-Fluorobenzyl)-N-(3-sulfanylpropyl)-2-piperazinecarboxamide

  • Molecular FormulaC15H22FN3OS
  • Average mass311.418 Da
  • Monoisotopic mass311.146759 Da
  • ChemSpider ID25059121

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-(4-Fluorbenzyl)-N-(3-sulfanylpropyl)-2-piperazincarboxamid [German] [ACD/IUPAC Name]
(2S)-4-(4-Fluorobenzyl)-N-(3-sulfanylpropyl)-2-piperazinecarboxamide [ACD/IUPAC Name]
(2S)-4-(4-Fluorobenzyl)-N-(3-sulfanylpropyl)-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide
2-Piperazinecarboxamide, 4-[(4-fluorophenyl)methyl]-N-(3-mercaptopropyl)-, (2S)- [ACD/Index Name]
(2S)-4-[(4-fluorophenyl)methyl]-N-(3-sulfanylpropyl)piperazine-2-carboxamide
F1K

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

Density: 1.2±0.1 g/cm3
Boiling Point: 510.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.6±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 84.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.92
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 5.50
ACD/KOC (pH 7.4): 104.77
Polar Surface Area: 83 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 263.2±3.0 cm3

Click to predict properties on the Chemicalize site


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