ChemSpider 2D Image | 1-(4,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-hydroxy-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one | C32H34N2O6S

1-(4,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-hydroxy-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC32H34N2O6S
  • Average mass574.687 Da
  • Monoisotopic mass574.213745 Da
  • ChemSpider ID3665505

More details:

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

1-(4,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-hydroxy-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-(4,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-hydroxy-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-(4,6-Diméthyl-1,3-benzothiazol-2-yl)-5-[3-éthoxy-4-(3-méthylbutoxy)phényl]-3-hydroxy-4-(5-méthyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-(4,6-dimethyl-2-benzothiazolyl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,5-dihydro-3-hydroxy-4-[(5-methyl-2-furanyl)carbonyl]- [ACD/Index 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: 696.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 375.3±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 159.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1101.34
ACD/KOC (pH 5.5): 2650.48
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 19.01
ACD/KOC (pH 7.4): 45.76
Polar Surface Area: 130 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 447.3±3.0 cm3

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