ChemSpider 2D Image | 1-(2-Fluorobenzyl)-5-{[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]carbonyl}-2-piperidinone | C24H29FN4O2

1-(2-Fluorobenzyl)-5-{[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]carbonyl}-2-piperidinone

  • Molecular FormulaC24H29FN4O2
  • Average mass424.511 Da
  • Monoisotopic mass424.227448 Da
  • ChemSpider ID22146461

More details:

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

1-(2-Fluorbenzyl)-5-{[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]carbonyl}-2-piperidinon [German] [ACD/IUPAC Name]
1-(2-Fluorobenzyl)-5-{[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]carbonyl}-2-piperidinone [ACD/IUPAC Name]
1-(2-Fluorobenzyl)-5-{[4-(2-pyridinylméthyl)-1,4-diazépan-1-yl]carbonyl}-2-pipéridinone [French] [ACD/IUPAC Name]
2-Piperidinone, 1-[(2-fluorophenyl)methyl]-5-[[hexahydro-4-(2-pyridinylmethyl)-1H-1,4-diazepin-1-yl]carbonyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 627.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.0±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 115.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 2.56
ACD/KOC (pH 5.5): 46.82
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.27
ACD/KOC (pH 7.4): 169.75
Polar Surface Area: 57 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 341.7±3.0 cm3

Click to predict properties on the Chemicalize site


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