ChemSpider 2D Image | 9040 | C27H26N4O4S

9040

  • Molecular FormulaC27H26N4O4S
  • Average mass502.585 Da
  • Monoisotopic mass502.167480 Da
  • ChemSpider ID8008175

More details:






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

2,4-Thiazolidinedione, 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy]phenyl]methyl]- [ACD/Index Name]
223132-37-4 [RN]
5-(4-{[6-(4-Amino-3,5-dimethylphenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzyl)-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
5-(4-{[6-(4-Amino-3,5-dimethylphenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzyl)-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
5-(4-{[6-(4-Amino-3,5-diméthylphénoxy)-1-méthyl-1H-benzimidazol-2-yl]méthoxy}benzyl)-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
9040
efatutazone
EFATUTAZONE, (R)-
Efatutazone, (S)-
Inolitazone
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AT2SR3799G [DBID]
BQH6P9RG81 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 765.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 416.9±32.9 °C
Index of Refraction: 1.691
Molar Refractivity: 138.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 343.95
ACD/KOC (pH 5.5): 2023.92
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 45.46
ACD/KOC (pH 7.4): 267.52
Polar Surface Area: 134 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 360.5±7.0 cm3

Click to predict properties on the Chemicalize site






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