ChemSpider 2D Image | 1-(4,6-Dimethyl-1,3-benzothiazol-2-yl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one | C34H36N2O6S

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

  • Molecular FormulaC34H36N2O6S
  • Average mass600.724 Da
  • Monoisotopic mass600.229431 Da
  • ChemSpider ID11887521

More details:

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

1-(4,6-Dimethyl-1,3-benzothiazol-2-yl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-(4,6-Dimethyl-1,3-benzothiazol-2-yl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-(4,6-Diméthyl-1,3-benzothiazol-2-yl)-4-(4-éthoxybenzoyl)-3-hydroxy-5-[3-méthoxy-4-(3-méthylbutoxy)phényl]-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-(4,6-dimethyl-2-benzothiazolyl)-4-(4-ethoxybenzoyl)-1,5-dihydro-3-hydroxy-5-[3-methoxy-4-(3-methylbutoxy)phenyl]- [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: 727.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 393.5±35.7 °C
Index of Refraction: 1.635
Molar Refractivity: 169.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.43
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 4793.30
ACD/KOC (pH 5.5): 7594.68
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 82.75
ACD/KOC (pH 7.4): 131.12
Polar Surface Area: 126 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 472.2±3.0 cm3

Click to predict properties on the Chemicalize site


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