ChemSpider 2D Image | {[2-({[5-(2,6-Dichlorophenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid | C19H13Cl2N5O3S

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

  • Molecular FormulaC19H13Cl2N5O3S
  • Average mass462.309 Da
  • Monoisotopic mass461.011627 Da
  • ChemSpider ID29396886

More details:

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

{[2-({[5-(2,6-Dichlorophenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid [ACD/IUPAC Name]
{[2-({[5-(2,6-Dichlorphenyl)-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-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-5-benzothiazolyl]oxy]- [ACD/Index Name]
Acide {[2-({[5-(2,6-dichlorophényl)-1,2,4-triazin-3-yl]amino}méthyl)-1,3-benzothiazol-5-yl]oxy}acétique [French] [ACD/IUPAC Name]
IHC

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

Density: 1.6±0.1 g/cm3
Boiling Point: 685.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 368.6±34.3 °C
Index of Refraction: 1.732
Molar Refractivity: 116.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 2.07
ACD/KOC (pH 5.5): 11.25
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 78.8±3.0 dyne/cm
Molar Volume: 290.4±3.0 cm3

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