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Search term: VIMSJHBPSQABPQ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-{4-[2-(3,4-Difluorophenyl)ethyl]-1-piperazinyl}-9-nitro-5-(2-phenylethyl)-5H-pyrimido[5,4-b]indole | C30H28F2N6O2

4-{4-[2-(3,4-Difluorophenyl)ethyl]-1-piperazinyl}-9-nitro-5-(2-phenylethyl)-5H-pyrimido[5,4-b]indole

  • Molecular FormulaC30H28F2N6O2
  • Average mass542.579 Da
  • Monoisotopic mass542.224182 Da
  • ChemSpider ID9436286

More details:

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

4-{4-[2-(3,4-Difluorophenyl)ethyl]-1-piperazinyl}-9-nitro-5-(2-phenylethyl)-5H-pyrimido[5,4-b]indole [ACD/IUPAC Name]
4-{4-[2-(3,4-Difluorophényl)éthyl]-1-pipérazinyl}-9-nitro-5-(2-phényléthyl)-5H-pyrimido[5,4-b]indole [French] [ACD/IUPAC Name]
4-{4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl}-9-nitro-5-(2-phenylethyl)-5H-pyrimido[5,4-b]indole
4-{4-[2-(3,4-Difluorphenyl)ethyl]-1-piperazinyl}-9-nitro-5-(2-phenylethyl)-5H-pyrimido[5,4-b]indol [German] [ACD/IUPAC Name]
5H-Pyrimido[5,4-b]indole, 4-[4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl]-9-nitro-5-(2-phenylethyl)- [ACD/Index Name]
4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-9-nitro-5-phenethyl-5H-pyrimido[5,4-b]indole
CHEMBL285343
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL285343/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 672.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.8±31.5 °C
Index of Refraction: 1.674
Molar Refractivity: 148.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 833.79
ACD/KOC (pH 5.5): 1989.05
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11140.38
ACD/KOC (pH 7.4): 26575.99
Polar Surface Area: 83 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 396.6±7.0 cm3

Click to predict properties on the Chemicalize site


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