ChemSpider 2D Image | 5-(2-Fluorobenzyl)-8-methyl-3-(2-phenylpropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one | C27H24FN3O

5-(2-Fluorobenzyl)-8-methyl-3-(2-phenylpropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

  • Molecular FormulaC27H24FN3O
  • Average mass425.497 Da
  • Monoisotopic mass425.190338 Da
  • ChemSpider ID29030598

More details:

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

4H-Pyrimido[5,4-b]indol-4-one, 5-[(2-fluorophenyl)methyl]-3,5-dihydro-8-methyl-3-(2-phenylpropyl)- [ACD/Index Name]
5-(2-Fluorbenzyl)-8-methyl-3-(2-phenylpropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-on [German] [ACD/IUPAC Name]
5-(2-Fluorobenzyl)-8-methyl-3-(2-phenylpropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one [ACD/IUPAC Name]
5-(2-Fluorobenzyl)-8-méthyl-3-(2-phénylpropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one [French] [ACD/IUPAC Name]
1189461-40-2 [RN]
5-(2-fluorobenzyl)-8-methyl-3-(2-phenylpropyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
5-[(2-fluorophenyl)methyl]-8-methyl-3-(2-phenylpropyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 631.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 336.0±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 125.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 12030.86
ACD/KOC (pH 5.5): 28990.64
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 12031.56
ACD/KOC (pH 7.4): 28992.33
Polar Surface Area: 38 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 349.0±7.0 cm3

Click to predict properties on the Chemicalize site


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