ChemSpider 2D Image | 6-(1-{4-[4,5-Di(2-furyl)-1,3-oxazol-2-yl]phenyl}-1H-1,2,3-triazol-4-yl)-N,N,N',N'-tetraethyl-1,3,5-triazine-2,4-diamine | C30H31N9O3

6-(1-{4-[4,5-Di(2-furyl)-1,3-oxazol-2-yl]phenyl}-1H-1,2,3-triazol-4-yl)-N,N,N',N'-tetraethyl-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC30H31N9O3
  • Average mass565.626 Da
  • Monoisotopic mass565.255005 Da
  • ChemSpider ID75531535

More details:

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

1,3,5-Triazine-2,4-diamine, 6-[1-[4-(4,5-di-2-furanyl-2-oxazolyl)phenyl]-1H-1,2,3-triazol-4-yl]-N2,N2,N4,N4-tetraethyl- [ACD/Index Name]
6-(1-{4-[4,5-Di(2-furyl)-1,3-oxazol-2-yl]phenyl}-1H-1,2,3-triazol-4-yl)-N,N,N',N'-tetraethyl-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
6-(1-{4-[4,5-Di(2-furyl)-1,3-oxazol-2-yl]phenyl}-1H-1,2,3-triazol-4-yl)-N,N,N',N'-tetraethyl-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
6-(1-{4-[4,5-Di(2-furyl)-1,3-oxazol-2-yl]phényl}-1H-1,2,3-triazol-4-yl)-N,N,N',N'-tétraéthyl-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC Name]
6-(1-(4-(4,5-di(furan-2-yl)oxazol-2-yl)phenyl)-1H-1,2,3-triazol-4-yl)-N2,N2,N4,N4-tetraethyl-1,3,5-triazine-2,4-diamine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4526388/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 735.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 398.9±35.7 °C
Index of Refraction: 1.682
Molar Refractivity: 159.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1440.05
ACD/KOC (pH 5.5): 6338.11
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1444.71
ACD/KOC (pH 7.4): 6358.65
Polar Surface Area: 128 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 420.1±7.0 cm3

Click to predict properties on the Chemicalize site


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