ChemSpider 2D Image | 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-(4-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one | C34H36N2O6S

1-(6-Ethoxy-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-(4-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC34H36N2O6S
  • Average mass600.724 Da
  • Monoisotopic mass600.229431 Da
  • ChemSpider ID12217830

More details:

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

1-(6-Ethoxy-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-(4-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-(6-Ethoxy-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-(4-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-(6-Éthoxy-1,3-benzothiazol-2-yl)-5-[3-éthoxy-4-(pentyloxy)phényl]-3-hydroxy-4-(4-méthylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-(6-ethoxy-2-benzothiazolyl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-1,5-dihydro-3-hydroxy-4-(4-methylbenzoyl)- [ACD/Index Name]

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

Density: 1.3±0.0 g/cm3
Boiling Point: 727.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 111.4±0.0 kJ/mol
Flash Point: 393.5±0.0 °C
Index of Refraction: 1.634
Molar Refractivity: 168.8±0.0 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.45
ACD/LogD (pH 5.5): 7.41
ACD/BCF (pH 5.5): 141059.75
ACD/KOC (pH 5.5): 85482.30
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 2434.51
ACD/KOC (pH 7.4): 1475.31
Polar Surface Area: 126 Å2
Polarizability: 66.9±0.0 10-24cm3
Surface Tension: 56.4±0.0 dyne/cm
Molar Volume: 472.1±0.0 cm3

Click to predict properties on the Chemicalize site


Advertisement