ChemSpider 2D Image | 5-(4-Butoxy-3-methoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(4-propoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one | C34H36N2O6S

5-(4-Butoxy-3-methoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(4-propoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC34H36N2O6S
  • Average mass600.724 Da
  • Monoisotopic mass600.229431 Da
  • ChemSpider ID11887565

More details:

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

2H-Pyrrol-2-one, 5-(4-butoxy-3-methoxyphenyl)-1-(4,6-dimethyl-2-benzothiazolyl)-1,5-dihydro-3-hydroxy-4-(4-propoxybenzoyl)- [ACD/Index Name]
5-(4-Butoxy-3-methoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(4-propoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-(4-Butoxy-3-methoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(4-propoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-(4-Butoxy-3-méthoxyphényl)-1-(4,6-diméthyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(4-propoxybenzoyl)-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: 731.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 396.0±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: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.62
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 4724.88
ACD/KOC (pH 5.5): 7516.92
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 81.57
ACD/KOC (pH 7.4): 129.77
Polar Surface Area: 126 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 471.8±3.0 cm3

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