ChemSpider 2D Image | 4-(3-Butoxybenzoyl)-5-(4-butoxy-3-methoxyphenyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one | C34H36N2O6S

4-(3-Butoxybenzoyl)-5-(4-butoxy-3-methoxyphenyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC34H36N2O6S
  • Average mass600.724 Da
  • Monoisotopic mass600.229431 Da
  • ChemSpider ID11965745

More details:

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

2H-Pyrrol-2-one, 4-(3-butoxybenzoyl)-5-(4-butoxy-3-methoxyphenyl)-1,5-dihydro-3-hydroxy-1-(6-methyl-2-benzothiazolyl)- [ACD/Index Name]
4-(3-Butoxybenzoyl)-5-(4-butoxy-3-methoxyphenyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(3-Butoxybenzoyl)-5-(4-butoxy-3-methoxyphenyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(3-Butoxybenzoyl)-5-(4-butoxy-3-méthoxyphényl)-3-hydroxy-1-(6-méthyl-1,3-benzothiazol-2-yl)-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: 728.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 394.5±35.7 °C
Index of Refraction: 1.634
Molar Refractivity: 168.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.69
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 7604.48
ACD/KOC (pH 5.5): 10569.35
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 131.21
ACD/KOC (pH 7.4): 182.37
Polar Surface Area: 126 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 472.1±3.0 cm3

Click to predict properties on the Chemicalize site


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