ChemSpider 2D Image | Methyl 2-[5-(4-fluorobenzyl)-1-oxo-1,5-dihydro-2H-pyrido[4,3-b]indol-2-yl]-3-methylbutanoate | C24H23FN2O3

Methyl 2-[5-(4-fluorobenzyl)-1-oxo-1,5-dihydro-2H-pyrido[4,3-b]indol-2-yl]-3-methylbutanoate

  • Molecular FormulaC24H23FN2O3
  • Average mass406.449 Da
  • Monoisotopic mass406.169281 Da
  • ChemSpider ID107440113

More details:

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

2-[5-(4-Fluorobenzyl)-1-oxo-1,5-dihydro-2H-pyrido[4,3-b]indol-2-yl]-3-méthylbutanoate de méthyle [French] [ACD/IUPAC Name]
2H-Pyrido[4,3-b]indole-2-acetic acid, 5-[(4-fluorophenyl)methyl]-1,5-dihydro-α-(1-methylethyl)-1-oxo-, methyl ester [ACD/Index Name]
Methyl 2-[5-(4-fluorobenzyl)-1-oxo-1,5-dihydro-2H-pyrido[4,3-b]indol-2-yl]-3-methylbutanoate [ACD/IUPAC Name]
Methyl-2-[5-(4-fluorbenzyl)-1-oxo-1,5-dihydro-2H-pyrido[4,3-b]indol-2-yl]-3-methylbutanoat [German] [ACD/IUPAC Name]
2797662-15-6 [RN]
MMB-FUBGACLONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.5±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 113.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3523.79
ACD/KOC (pH 5.5): 12037.70
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3523.79
ACD/KOC (pH 7.4): 12037.70
Polar Surface Area: 52 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 327.6±7.0 cm3

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