ChemSpider 2D Image | 3-(2-{6-[(2-Fluorobenzyl)oxy]-4-isobutyl-3-oxo-1,4-diazepan-1-yl}-2-oxoethyl)-6-methoxy-1,3-dihydro-2H-indol-2-one | C27H32FN3O5

3-(2-{6-[(2-Fluorobenzyl)oxy]-4-isobutyl-3-oxo-1,4-diazepan-1-yl}-2-oxoethyl)-6-methoxy-1,3-dihydro-2H-indol-2-one

  • Molecular FormulaC27H32FN3O5
  • Average mass497.559 Da
  • Monoisotopic mass497.232605 Da
  • ChemSpider ID22149208

More details:

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

2H-Indol-2-one, 3-[2-[6-[(2-fluorophenyl)methoxy]hexahydro-4-(2-methylpropyl)-3-oxo-1H-1,4-diazepin-1-yl]-2-oxoethyl]-1,3-dihydro-6-methoxy- [ACD/Index Name]
3-(2-{6-[(2-Fluorbenzyl)oxy]-4-isobutyl-3-oxo-1,4-diazepan-1-yl}-2-oxoethyl)-6-methoxy-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
3-(2-{6-[(2-Fluorobenzyl)oxy]-4-isobutyl-3-oxo-1,4-diazepan-1-yl}-2-oxoethyl)-6-methoxy-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
3-(2-{6-[(2-Fluorobenzyl)oxy]-4-isobutyl-3-oxo-1,4-diazépan-1-yl}-2-oxoéthyl)-6-méthoxy-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 702.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.4±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 132.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.91
ACD/KOC (pH 5.5): 1038.52
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.91
ACD/KOC (pH 7.4): 1038.53
Polar Surface Area: 88 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 384.9±5.0 cm3

Click to predict properties on the Chemicalize site


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