ChemSpider 2D Image | 4-[(5-Fluoro-1H-indol-2-yl)carbonyl]-6-(3-pyridinylmethoxy)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1,4-diazepan-2-one | C26H29FN4O4

4-[(5-Fluoro-1H-indol-2-yl)carbonyl]-6-(3-pyridinylmethoxy)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1,4-diazepan-2-one

  • Molecular FormulaC26H29FN4O4
  • Average mass480.531 Da
  • Monoisotopic mass480.217285 Da
  • ChemSpider ID22124625

More details:

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

2H-1,4-Diazepin-2-one, 4-[(5-fluoro-1H-indol-2-yl)carbonyl]hexahydro-6-(3-pyridinylmethoxy)-1-[(tetrahydro-2H-pyran-4-yl)methyl]- [ACD/Index Name]
4-[(5-Fluor-1H-indol-2-yl)carbonyl]-6-(3-pyridinylmethoxy)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1,4-diazepan-2-on [German] [ACD/IUPAC Name]
4-[(5-Fluoro-1H-indol-2-yl)carbonyl]-6-(3-pyridinylmethoxy)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1,4-diazepan-2-one [ACD/IUPAC Name]
4-[(5-Fluoro-1H-indol-2-yl)carbonyl]-6-(3-pyridinylméthoxy)-1-(tétrahydro-2H-pyran-4-ylméthyl)-1,4-diazépan-2-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 734.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.2±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.01
ACD/KOC (pH 5.5): 161.85
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.21
ACD/KOC (pH 7.4): 183.56
Polar Surface Area: 88 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 354.3±5.0 cm3

Click to predict properties on the Chemicalize site


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