ChemSpider 2D Image | 5-(3-Bromo-4-hydroxy-5-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[(2E)-3-phenyl-2-propenoyl]-1,5-dihydro-2H-pyrrol-2-one | C23H18BrN3O5S

5-(3-Bromo-4-hydroxy-5-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[(2E)-3-phenyl-2-propenoyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC23H18BrN3O5S
  • Average mass528.375 Da
  • Monoisotopic mass527.015076 Da
  • ChemSpider ID4836401

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-Pyrrol-2-one, 5-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,5-dihydro-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]- [ACD/Index Name]
5-(3-Brom-4-hydroxy-5-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[(2E)-3-phenyl-2-propenoyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-(3-Bromo-4-hydroxy-5-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[(2E)-3-phenyl-2-propenoyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-(3-Bromo-4-hydroxy-5-méthoxyphényl)-3-hydroxy-1-(5-méthyl-1,3,4-thiadiazol-2-yl)-4-[(2E)-3-phényl-2-propenoyl]-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
5-(3-Bromo-4-hydroxy-5-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[(2E)-3-phenylprop-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one

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

Density: 1.6±0.1 g/cm3
Boiling Point: 668.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 357.8±34.3 °C
Index of Refraction: 1.726
Molar Refractivity: 127.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 7.33
ACD/KOC (pH 5.5): 73.26
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.08
Polar Surface Area: 141 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 79.4±3.0 dyne/cm
Molar Volume: 321.8±3.0 cm3

Click to predict properties on the Chemicalize site


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