ChemSpider 2D Image | Diethyl 2-[(Z)-(2-furylmethylene)amino]-5-{(Z)-[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-3,4-thiophenedicarboxylate | C21H21N3O5S

Diethyl 2-[(Z)-(2-furylmethylene)amino]-5-{(Z)-[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-3,4-thiophenedicarboxylate

  • Molecular FormulaC21H21N3O5S
  • Average mass427.474 Da
  • Monoisotopic mass427.120178 Da
  • ChemSpider ID30658672

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(Z)-(2-Furylméthylène)amino]-5-{(Z)-[(1-méthyl-1H-pyrrol-2-yl)méthylène]amino}-3,4-thiophènedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
3,4-Thiophenedicarboxylic acid, 2-[[(1Z)-2-furanylmethylene]amino]-5-[[(1Z)-(1-methyl-1H-pyrrol-2-yl)methylene]amino]-, diethyl ester [ACD/Index Name]
Diethyl 2-[(Z)-(2-furylmethylene)amino]-5-{(Z)-[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-3,4-thiophenedicarboxylate [ACD/IUPAC Name]
Diethyl-2-[(Z)-(2-furylmethylen)amino]-5-{(Z)-[(1-methyl-1H-pyrrol-2-yl)methylen]amino}-3,4-thiophendicarboxylat [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: 621.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.8±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 114.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 507.32
ACD/KOC (pH 5.5): 3000.39
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 510.85
ACD/KOC (pH 7.4): 3021.27
Polar Surface Area: 124 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 331.0±7.0 cm3

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