ChemSpider 2D Image | 5-[4-(Benzyloxy)-3-ethoxyphenyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one | C34H30N2O6S

5-[4-(Benzyloxy)-3-ethoxyphenyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC34H30N2O6S
  • Average mass594.677 Da
  • Monoisotopic mass594.182434 Da
  • ChemSpider ID2671079

More details:

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

2H-Pyrrol-2-one, 1-(4,6-dimethyl-2-benzothiazolyl)-5-[3-ethoxy-4-(phenylmethoxy)phenyl]-1,5-dihydro-3-hydroxy-4-[(5-methyl-2-furanyl)carbonyl]- [ACD/Index Name]
5-[4-(Benzyloxy)-3-ethoxyphenyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-[4-(Benzyloxy)-3-ethoxyphenyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-[4-(Benzyloxy)-3-éthoxyphényl]-1-(4,6-diméthyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(5-méthyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one [French] [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: 740.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 401.5±35.7 °C
Index of Refraction: 1.673
Molar Refractivity: 165.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 1517.16
ACD/KOC (pH 5.5): 3333.48
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 26.19
ACD/KOC (pH 7.4): 57.55
Polar Surface Area: 130 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 441.6±3.0 cm3

Click to predict properties on the Chemicalize site


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