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ChemSpider 2D Image | Ethyl (4-{4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl}-8-nitro-5H-pyrimido[5,4-b]indol-5-yl)acetate | C26H26F2N6O4

Ethyl (4-{4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl}-8-nitro-5H-pyrimido[5,4-b]indol-5-yl)acetate

  • Molecular FormulaC26H26F2N6O4
  • Average mass524.519 Da
  • Monoisotopic mass524.198364 Da
  • ChemSpider ID9355084

More details:

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

(4-{4-[2-(3,4-Difluorophényl)éthyl]-1-pipérazinyl}-8-nitro-5H-pyrimido[5,4-b]indol-5-yl)acétate d'éthyle [French] [ACD/IUPAC Name]
5H-Pyrimido[5,4-b]indole-5-acetic acid, 4-[4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl]-8-nitro-, ethyl ester [ACD/Index Name]
Ethyl (4-{4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl}-8-nitro-5H-pyrimido[5,4-b]indol-5-yl)acetate [ACD/IUPAC Name]
ethyl (4-{4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl}-8-nitro-5H-pyrimido[5,4-b]indol-5-yl)acetate
Ethyl-(4-{4-[2-(3,4-difluorphenyl)ethyl]-1-piperazinyl}-8-nitro-5H-pyrimido[5,4-b]indol-5-yl)acetat [German] [ACD/IUPAC Name]
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-8-nitro-pyrimido[5,4-b]indol-5-yl)-acetic acid ethyl ester
CHEMBL26039

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

Density: 1.4±0.1 g/cm3
Boiling Point: 638.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 340.1±31.5 °C
Index of Refraction: 1.665
Molar Refractivity: 135.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 53.60
ACD/KOC (pH 5.5): 268.54
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 822.53
ACD/KOC (pH 7.4): 4121.27
Polar Surface Area: 109 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 363.8±7.0 cm3

Click to predict properties on the Chemicalize site


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