ChemSpider 2D Image | N-[(2-Pyridinylmethyl)carbamothioyl]-4-biphenylcarboxamide | C20H17N3OS

N-[(2-Pyridinylmethyl)carbamothioyl]-4-biphenylcarboxamide

  • Molecular FormulaC20H17N3OS
  • Average mass347.434 Da
  • Monoisotopic mass347.109222 Da
  • ChemSpider ID21119349

More details:

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

[1,1'-Biphenyl]-4-carboxamide, N-[[(2-pyridinylmethyl)amino]thioxomethyl]- [ACD/Index Name]
N-[(2-Pyridinylmethyl)carbamothioyl]-4-biphenylcarboxamid [German] [ACD/IUPAC Name]
N-[(2-Pyridinylmethyl)carbamothioyl]-4-biphenylcarboxamide [ACD/IUPAC Name]
N-[(2-Pyridinylméthyl)carbamothioyl]-4-biphénylcarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 536.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 278.4±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 104.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.31
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.24
Polar Surface Area: 97 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 289.1±7.0 cm3

Click to predict properties on the Chemicalize site


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