ChemSpider 2D Image | 3-[4-({4-(Dimethylamino)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-1,3,5-triazin-2-yl}amino)phenyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one | C31H28N6O5S

3-[4-({4-(Dimethylamino)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-1,3,5-triazin-2-yl}amino)phenyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one

  • Molecular FormulaC31H28N6O5S
  • Average mass596.656 Da
  • Monoisotopic mass596.184204 Da
  • ChemSpider ID31120524

More details:

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

3-[4-({4-(Dimethylamino)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-1,3,5-triazin-2-yl}amino)phenyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
3-[4-({4-(Dimethylamino)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-1,3,5-triazin-2-yl}amino)phenyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one [ACD/IUPAC Name]
3-[4-({4-(Diméthylamino)-6-[(4-méthyl-2-oxo-2H-chromén-7-yl)oxy]-1,3,5-triazin-2-yl}amino)phényl]-2-(4-méthoxyphényl)-1,3-thiazolidin-4-one [French] [ACD/IUPAC Name]
4-Thiazolidinone, 3-[4-[[4-(dimethylamino)-6-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-1,3,5-triazin-2-yl]amino]phenyl]-2-(4-methoxyphenyl)- [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: 886.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.9±3.0 kJ/mol
Flash Point: 490.0±37.1 °C
Index of Refraction: 1.691
Molar Refractivity: 163.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1521.66
ACD/KOC (pH 5.5): 6583.60
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1534.35
ACD/KOC (pH 7.4): 6638.49
Polar Surface Area: 144 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 428.1±3.0 cm3

Click to predict properties on the Chemicalize site


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