ChemSpider 2D Image | (E)-N-[(2-Chloro-1,3-thiazol-5-yl)methoxy]-1-[3-methyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methanimine | C22H19ClN4O2S

(E)-N-[(2-Chloro-1,3-thiazol-5-yl)methoxy]-1-[3-methyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methanimine

  • Molecular FormulaC22H19ClN4O2S
  • Average mass438.930 Da
  • Monoisotopic mass438.091736 Da
  • ChemSpider ID30656520

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-N-[(2-Chlor-1,3-thiazol-5-yl)methoxy]-1-[3-methyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methanimin [German] [ACD/IUPAC Name]
(E)-N-[(2-Chloro-1,3-thiazol-5-yl)methoxy]-1-[3-methyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methanimine [ACD/IUPAC Name]
(E)-N-[(2-Chloro-1,3-thiazol-5-yl)méthoxy]-1-[3-méthyl-5-(4-méthylphénoxy)-1-phényl-1H-pyrazol-4-yl]méthanimine [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxaldehyde, 3-methyl-5-(4-methylphenoxy)-1-phenyl-, O-[(2-chloro-5-thiazolyl)methyl]oxime [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 588.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 309.8±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 121.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4020.25
ACD/KOC (pH 5.5): 13228.63
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4020.33
ACD/KOC (pH 7.4): 13228.92
Polar Surface Area: 90 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 332.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement