Found 1 result

Search term: CNAYNNSUTSXUJE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | {[2-({[5-(2,6-Dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid | C21H19N5O5S

{[2-({[5-(2,6-Dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid

  • Molecular FormulaC21H19N5O5S
  • Average mass453.471 Da
  • Monoisotopic mass453.110687 Da
  • ChemSpider ID29396677

More details:

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

{[2-({[5-(2,6-Dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid [ACD/IUPAC Name]
{[2-({[5-(2,6-Dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-5-benzothiazolyl]oxy]- [ACD/Index Name]
Acide {[2-({[5-(2,6-diméthoxyphényl)-1,2,4-triazin-3-yl]amino}méthyl)-1,3-benzothiazol-5-yl]oxy}acétique [French] [ACD/IUPAC Name]
IHA

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

Density: 1.4±0.1 g/cm3
Boiling Point: 664.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 355.6±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 119.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.89
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 69.1±3.0 dyne/cm
Molar Volume: 314.5±3.0 cm3

Click to predict properties on the Chemicalize site


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