ChemSpider 2D Image | N-{3-[(Dimethylamino)methyl]-4-fluorobenzyl}-4-thiomorpholinecarboxamide | C15H22FN3OS

N-{3-[(Dimethylamino)methyl]-4-fluorobenzyl}-4-thiomorpholinecarboxamide

  • Molecular FormulaC15H22FN3OS
  • Average mass311.418 Da
  • Monoisotopic mass311.146759 Da
  • ChemSpider ID30477585

More details:

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

4-Thiomorpholinecarboxamide, N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]- [ACD/Index Name]
N-{3-[(Dimethylamino)methyl]-4-fluorbenzyl}-4-thiomorpholincarboxamid [German] [ACD/IUPAC Name]
N-{3-[(Dimethylamino)methyl]-4-fluorobenzyl}-4-thiomorpholinecarboxamide [ACD/IUPAC Name]
N-{3-[(Diméthylamino)méthyl]-4-fluorobenzyl}-4-thiomorpholinecarboxamide [French] [ACD/IUPAC Name]
N-({3-[(DIMETHYLAMINO)METHYL]-4-FLUOROPHENYL}METHYL)THIOMORPHOLINE-4-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: 501.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 257.0±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 85.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 20.88
Polar Surface Area: 61 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 258.5±3.0 cm3

Click to predict properties on the Chemicalize site


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