ChemSpider 2D Image | Ethyl 5-amino-3-[({3-[5-chloro-1-(4-chlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acryloyl}oxy)methyl]-4-cyano-2-thiophenecarboxylate | C23H20Cl2N4O4S

Ethyl 5-amino-3-[({3-[5-chloro-1-(4-chlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acryloyl}oxy)methyl]-4-cyano-2-thiophenecarboxylate

  • Molecular FormulaC23H20Cl2N4O4S
  • Average mass519.400 Da
  • Monoisotopic mass518.058228 Da
  • ChemSpider ID4019093

More details:

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

2-Thiophenecarboxylic acid, 5-amino-3-[[[3-[5-chloro-1-[(4-chlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl]-1-oxo-2-propen-1-yl]oxy]methyl]-4-cyano-, ethyl ester [ACD/Index Name]
5-Amino-3-[({3-[5-chloro-1-(4-chlorobenzyl)-3-méthyl-1H-pyrazol-4-yl]acryloyl}oxy)méthyl]-4-cyano-2-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-amino-3-[({3-[5-chloro-1-(4-chlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acryloyl}oxy)methyl]-4-cyano-2-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-5-amino-3-[({3-[5-chlor-1-(4-chlorbenzyl)-3-methyl-1H-pyrazol-4-yl]acryloyl}oxy)methyl]-4-cyan-2-thiophencarboxylat [German] [ACD/IUPAC 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: 729.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.0±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 132.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1824.61
ACD/KOC (pH 5.5): 7515.23
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1824.62
ACD/KOC (pH 7.4): 7515.28
Polar Surface Area: 148 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 364.9±7.0 cm3

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