ChemSpider 2D Image | Isopropyl 5-[({4-[(Z)-{4-[(2-chlorobenzyl)oxy]-3-ethoxybenzylidene}amino]-5-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-furoate | C28H29ClN4O5S

Isopropyl 5-[({4-[(Z)-{4-[(2-chlorobenzyl)oxy]-3-ethoxybenzylidene}amino]-5-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-furoate

  • Molecular FormulaC28H29ClN4O5S
  • Average mass569.072 Da
  • Monoisotopic mass568.154724 Da
  • ChemSpider ID60226926

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Furancarboxylic acid, 5-[[[4-[[(1Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylene]amino]-5-methyl-4H-1,2,4-triazol-3-yl]thio]methyl]-, 1-methylethyl ester [ACD/Index Name]
5-[({4-[(Z)-{4-[(2-Chlorobenzyl)oxy]-3-éthoxybenzylidène}amino]-5-méthyl-4H-1,2,4-triazol-3-yl}sulfanyl)méthyl]-2-furoate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl 5-[({4-[(Z)-{4-[(2-chlorobenzyl)oxy]-3-ethoxybenzylidene}amino]-5-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-furoate [ACD/IUPAC Name]
Isopropyl-5-[({4-[(Z)-{4-[(2-chlorbenzyl)oxy]-3-ethoxybenzyliden}amino]-5-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-furoat [German] [ACD/IUPAC 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: 731.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.3±35.7 °C
Index of Refraction: 1.615
Molar Refractivity: 152.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18809.77
ACD/KOC (pH 5.5): 39916.59
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18815.29
ACD/KOC (pH 7.4): 39928.29
Polar Surface Area: 126 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 437.1±7.0 cm3

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