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Search term: XARBJVYVSNYWJC-UHFFFAOYAF (Found by InChIKey (full match))
ChemSpider 2D Image | 1-(6-Fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(4-propoxyphenyl)methylene]-5-(3-propoxyphenyl)-2,3-pyrrolidinedione | C30H27FN2O5S

1-(6-Fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(4-propoxyphenyl)methylene]-5-(3-propoxyphenyl)-2,3-pyrrolidinedione

  • Molecular FormulaC30H27FN2O5S
  • Average mass546.609 Da
  • Monoisotopic mass546.162476 Da
  • ChemSpider ID3670197

More details:

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

1-(6-Fluor-1,3-benzothiazol-2-yl)-4-[hydroxy(4-propoxyphenyl)methylen]-5-(3-propoxyphenyl)-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
1-(6-Fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(4-propoxyphenyl)methylene]-5-(3-propoxyphenyl)-2,3-pyrrolidinedione [ACD/IUPAC Name]
1-(6-Fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(4-propoxyphényl)méthylène]-5-(3-propoxyphényl)-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]
2,3-Pyrrolidinedione, 1-(6-fluoro-2-benzothiazolyl)-4-[hydroxy(4-propoxyphenyl)methylene]-5-(3-propoxyphenyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 714.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 386.0±35.7 °C
Index of Refraction: 1.653
Molar Refractivity: 148.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.67
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7326.71
ACD/KOC (pH 5.5): 20290.51
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 4865.30
ACD/KOC (pH 7.4): 13473.91
Polar Surface Area: 117 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 404.9±3.0 cm3

Click to predict properties on the Chemicalize site


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