ChemSpider 2D Image | Ethyl 4-[4-(1,3-benzodioxol-5-ylamino)-6-{[2-(1H-imidazol-4-yl)ethyl]amino}-1,3,5-triazin-2-yl]-1-piperazinecarboxylate | C22H27N9O4

Ethyl 4-[4-(1,3-benzodioxol-5-ylamino)-6-{[2-(1H-imidazol-4-yl)ethyl]amino}-1,3,5-triazin-2-yl]-1-piperazinecarboxylate

  • Molecular FormulaC22H27N9O4
  • Average mass481.508 Da
  • Monoisotopic mass481.218597 Da
  • ChemSpider ID124571466

More details:

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

1-Piperazinecarboxylic acid, 4-[4-(1,3-benzodioxol-5-ylamino)-6-[[2-(1H-imidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-, ethyl ester [ACD/Index Name]
4-[4-(1,3-Benzodioxol-5-ylamino)-6-{[2-(1H-imidazol-4-yl)éthyl]amino}-1,3,5-triazin-2-yl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[4-(1,3-benzodioxol-5-ylamino)-6-{[2-(1H-imidazol-4-yl)ethyl]amino}-1,3,5-triazin-2-yl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[4-(1,3-benzodioxol-5-ylamino)-6-{[2-(1H-imidazol-4-yl)ethyl]amino}-1,3,5-triazin-2-yl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 765.5±70.0 °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: 416.8±35.7 °C
Index of Refraction: 1.688
Molar Refractivity: 126.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 35.79
Polar Surface Area: 143 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 83.9±3.0 dyne/cm
Molar Volume: 332.0±3.0 cm3

Click to predict properties on the Chemicalize site


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