ChemSpider 2D Image | 1-{5-[(2-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2-furoyl)-3-hydroxy-5-[4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one | C29H26FN3O5S2

1-{5-[(2-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2-furoyl)-3-hydroxy-5-[4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC29H26FN3O5S2
  • Average mass579.662 Da
  • Monoisotopic mass579.129761 Da
  • ChemSpider ID11907237

More details:

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

1-{5-[(2-Fluorbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2-furoyl)-3-hydroxy-5-[4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-{5-[(2-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2-furoyl)-3-hydroxy-5-[4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-{5-[(2-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2-furoyl)-3-hydroxy-5-[4-(pentyloxy)phényl]-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[5-[[(2-fluorophenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]-4-(2-furanylcarbonyl)-1,5-dihydro-3-hydroxy-5-[4-(pentyloxy)phenyl]- [ACD/Index 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: 712.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 385.0±35.7 °C
Index of Refraction: 1.677
Molar Refractivity: 150.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 858.41
ACD/KOC (pH 5.5): 2217.96
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 14.81
ACD/KOC (pH 7.4): 38.26
Polar Surface Area: 159 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 401.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement