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Search term: CVPWWXFMGHMXRS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-(3-Fluorobenzyl)-5-{[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]carbonyl}-2-piperidinone | C24H29FN4O2

1-(3-Fluorobenzyl)-5-{[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]carbonyl}-2-piperidinone

  • Molecular FormulaC24H29FN4O2
  • Average mass424.511 Da
  • Monoisotopic mass424.227448 Da
  • ChemSpider ID22502868

More details:

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

1-(3-Fluorbenzyl)-5-{[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]carbonyl}-2-piperidinon [German] [ACD/IUPAC Name]
1-(3-Fluorobenzyl)-5-{[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]carbonyl}-2-piperidinone [ACD/IUPAC Name]
1-(3-Fluorobenzyl)-5-{[4-(2-méthyl-4-pyridinyl)-1,4-diazépan-1-yl]carbonyl}-2-pipéridinone [French] [ACD/IUPAC Name]
2-Piperidinone, 1-[(3-fluorophenyl)methyl]-5-[[hexahydro-4-(2-methyl-4-pyridinyl)-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: 665.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 356.2±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 116.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.02
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.05
Polar Surface Area: 57 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 343.8±3.0 cm3

Click to predict properties on the Chemicalize site


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