ChemSpider 2D Image | 7-cyclopentyl-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-5-ethylimidazo[5,1-f][1,2,4]triazin-4-ol | C25H34N6O4S

7-cyclopentyl-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-5-ethylimidazo[5,1-f][1,2,4]triazin-4-ol

  • Molecular FormulaC25H34N6O4S
  • Average mass514.640 Da
  • Monoisotopic mass514.236206 Da
  • ChemSpider ID9715611

More details:

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

7-Cyclopentyl-2-{2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-5-ethylimidazo[5,1-f][1,2,4]triazin-4(1H)-on [German] [ACD/IUPAC Name]
7-Cyclopentyl-2-{2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-5-ethylimidazo[5,1-f][1,2,4]triazin-4(1H)-one [ACD/IUPAC Name]
7-Cyclopentyl-2-{2-éthoxy-5-[(4-méthyl-1-pipérazinyl)sulfonyl]phényl}-5-éthylimidazo[5,1-f][1,2,4]triazin-4(1H)-one [French] [ACD/IUPAC Name]
7-cyclopentyl-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-5-ethylimidazo[5,1-f][1,2,4]triazin-4-ol
Imidazo[5,1-f][1,2,4]triazin-4(1H)-one, 7-cyclopentyl-2-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-5-ethyl- [ACD/Index Name]
7-Cyclopentyl-2-[2-ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phenyl]-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CHEMBL183343

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

Density: 1.4±0.1 g/cm3
Boiling Point: 725.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.5±35.7 °C
Index of Refraction: 1.690
Molar Refractivity: 137.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 13.31
ACD/KOC (pH 5.5): 148.35
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 52.93
ACD/KOC (pH 7.4): 589.72
Polar Surface Area: 118 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 359.9±7.0 cm3

Click to predict properties on the Chemicalize site


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