Found 17 results

Search term: MF = 'C_{29}H_{25}FN_{2}O_{7}S'
ChemSpider 2D Image | 4-[(4-Ethoxyphenyl)(hydroxy)methylene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-2,3-pyrrolidinedione | C29H25FN2O7S

4-[(4-Ethoxyphenyl)(hydroxy)methylene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-2,3-pyrrolidinedione

  • Molecular FormulaC29H25FN2O7S
  • Average mass564.581 Da
  • Monoisotopic mass564.136658 Da
  • ChemSpider ID3133785

More details:

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

2,3-Pyrrolidinedione, 4-[(4-ethoxyphenyl)hydroxymethylene]-1-(6-fluoro-2-benzothiazolyl)-5-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
4-[(4-Ethoxyphenyl)(hydroxy)methylen]-1-(6-fluor-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
4-[(4-Ethoxyphenyl)(hydroxy)methylene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-2,3-pyrrolidinedione [ACD/IUPAC Name]
4-[(4-Éthoxyphényl)(hydroxy)méthylène]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(3,4,5-triméthoxyphényl)-2,3-pyrrolidinedione [French] [ACD/IUPAC 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: 722.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 390.5±35.7 °C
Index of Refraction: 1.653
Molar Refractivity: 147.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 754.18
ACD/KOC (pH 5.5): 3984.92
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 484.64
ACD/KOC (pH 7.4): 2560.73
Polar Surface Area: 136 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 403.3±3.0 cm3

Click to predict properties on the Chemicalize site


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