ChemSpider 2D Image | N-[2-Oxo-5-(trifluoromethyl)-1,2-dihydro-3-pyridinyl]-1,4-thiazepane-4-carboxamide | C12H14F3N3O2S

N-[2-Oxo-5-(trifluoromethyl)-1,2-dihydro-3-pyridinyl]-1,4-thiazepane-4-carboxamide

  • Molecular FormulaC12H14F3N3O2S
  • Average mass321.319 Da
  • Monoisotopic mass321.075867 Da
  • ChemSpider ID30074834

More details:

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

1,4-Thiazepine-4(5H)-carboxamide, N-[1,2-dihydro-2-oxo-5-(trifluoromethyl)-3-pyridinyl]tetrahydro- [ACD/Index Name]
N-[2-Oxo-5-(trifluormethyl)-1,2-dihydro-3-pyridinyl]-1,4-thiazepan-4-carboxamid [German] [ACD/IUPAC Name]
N-[2-Oxo-5-(trifluoromethyl)-1,2-dihydro-3-pyridinyl]-1,4-thiazepane-4-carboxamide [ACD/IUPAC Name]
N-[2-Oxo-5-(trifluorométhyl)-1,2-dihydro-3-pyridinyl]-1,4-thiazépane-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 535.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.5±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 72.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.39
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.02
ACD/KOC (pH 5.5): 35.20
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.61
Polar Surface Area: 87 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 221.3±5.0 cm3

Click to predict properties on the Chemicalize site


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