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

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

  • Molecular FormulaC34H36N2O6S
  • Average mass600.724 Da
  • Monoisotopic mass600.229431 Da
  • ChemSpider ID11965059

More details:

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

2H-Pyrrol-2-one, 4-(3-butoxybenzoyl)-1,5-dihydro-3-hydroxy-1-(6-methoxy-2-benzothiazolyl)-5-[4-(pentyloxy)phenyl]- [ACD/Index Name]
4-(3-Butoxybenzoyl)-3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-[4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(3-Butoxybenzoyl)-3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-[4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(3-Butoxybenzoyl)-3-hydroxy-1-(6-méthoxy-1,3-benzothiazol-2-yl)-5-[4-(pentyloxy)phényl]-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: 737.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 399.5±35.7 °C
Index of Refraction: 1.633
Molar Refractivity: 168.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.85
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 8459.08
ACD/KOC (pH 5.5): 11405.93
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 145.98
ACD/KOC (pH 7.4): 196.84
Polar Surface Area: 126 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 472.3±3.0 cm3

Click to predict properties on the Chemicalize site


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