ChemSpider 2D Image | Isopropyl 5-[({5-butyl-4-[(Z)-(3-ethoxy-5-nitro-4-propoxybenzylidene)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-furoate | C27H35N5O7S

Isopropyl 5-[({5-butyl-4-[(Z)-(3-ethoxy-5-nitro-4-propoxybenzylidene)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-furoate

  • Molecular FormulaC27H35N5O7S
  • Average mass573.661 Da
  • Monoisotopic mass573.225708 Da
  • ChemSpider ID60227533

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Furancarboxylic acid, 5-[[[5-butyl-4-[[(1Z)-(3-ethoxy-5-nitro-4-propoxyphenyl)methylene]amino]-4H-1,2,4-triazol-3-yl]thio]methyl]-, 1-methylethyl ester [ACD/Index Name]
5-[({5-Butyl-4-[(Z)-(3-éthoxy-5-nitro-4-propoxybenzylidène)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)méthyl]-2-furoate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl 5-[({5-butyl-4-[(Z)-(3-ethoxy-5-nitro-4-propoxybenzylidene)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-furoate [ACD/IUPAC Name]
Isopropyl-5-[({5-butyl-4-[(Z)-(3-ethoxy-5-nitro-4-propoxybenzyliden)amino]-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: 737.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.9±35.7 °C
Index of Refraction: 1.597
Molar Refractivity: 151.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 7.58
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16427.03
ACD/KOC (pH 5.5): 36229.31
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16430.26
ACD/KOC (pH 7.4): 36236.43
Polar Surface Area: 172 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 444.6±7.0 cm3

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