ChemSpider 2D Image | (E)-N-{3-[(2-Chloro-6-fluorobenzyl)sulfanyl]-5-cyclobutyl-4H-1,2,4-triazol-4-yl}-1-(2-pyridinyl)methanimine | C19H17ClFN5S

(E)-N-{3-[(2-Chloro-6-fluorobenzyl)sulfanyl]-5-cyclobutyl-4H-1,2,4-triazol-4-yl}-1-(2-pyridinyl)methanimine

  • Molecular FormulaC19H17ClFN5S
  • Average mass401.888 Da
  • Monoisotopic mass401.087708 Da
  • ChemSpider ID126598681

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-N-{3-[(2-Chlor-6-fluorbenzyl)sulfanyl]-5-cyclobutyl-4H-1,2,4-triazol-4-yl}-1-(2-pyridinyl)methanimin [German] [ACD/IUPAC Name]
(E)-N-{3-[(2-Chloro-6-fluorobenzyl)sulfanyl]-5-cyclobutyl-4H-1,2,4-triazol-4-yl}-1-(2-pyridinyl)methanimine [ACD/IUPAC Name]
(E)-N-{3-[(2-Chloro-6-fluorobenzyl)sulfanyl]-5-cyclobutyl-4H-1,2,4-triazol-4-yl}-1-(2-pyridinyl)méthanimine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, 3-[[(2-chloro-6-fluorophenyl)methyl]thio]-5-cyclobutyl-N-[(1E)-2-pyridinylmethylene]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 598.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.7±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 108.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 954.99
ACD/KOC (pH 5.5): 4727.79
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 955.19
ACD/KOC (pH 7.4): 4728.78
Polar Surface Area: 81 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 280.6±7.0 cm3

Click to predict properties on the Chemicalize site


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