ChemSpider 2D Image | (2S)-4-(4-Fluorobenzyl)-N-(2-sulfanylethyl)-2-piperazinecarboxamide | C14H20FN3OS

(2S)-4-(4-Fluorobenzyl)-N-(2-sulfanylethyl)-2-piperazinecarboxamide

  • Molecular FormulaC14H20FN3OS
  • Average mass297.392 Da
  • Monoisotopic mass297.131104 Da
  • ChemSpider ID25056949

  • 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-(2-sulfanylethyl)-2-piperazincarboxamid [German] [ACD/IUPAC Name]
(2S)-4-(4-Fluorobenzyl)-N-(2-sulfanylethyl)-2-piperazinecarboxamide [ACD/IUPAC Name]
(2S)-4-(4-Fluorobenzyl)-N-(2-sulfanyléthyl)-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide
2-Piperazinecarboxamide, 4-[(4-fluorophenyl)methyl]-N-(2-mercaptoethyl)-, (2S)- [ACD/Index Name]
(2S)-4-[(4-fluorophenyl)methyl]-N-(2-sulfanylethyl)piperazine-2-carboxamide
F1J

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

Density: 1.2±0.1 g/cm3
Boiling Point: 496.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.2±28.7 °C
Index of Refraction: 1.561
Molar Refractivity: 79.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.81
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.16
ACD/KOC (pH 7.4): 70.90
Polar Surface Area: 83 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 246.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement