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Search term: PGFGLRYSRDCEDO (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-(3-Chloro-4-fluorobenzyl)-4-(2,5-dimethoxybenzyl)-1-piperazinecarboxamide | C21H25ClFN3O3

N-(3-Chloro-4-fluorobenzyl)-4-(2,5-dimethoxybenzyl)-1-piperazinecarboxamide

  • Molecular FormulaC21H25ClFN3O3
  • Average mass421.893 Da
  • Monoisotopic mass421.156860 Da
  • ChemSpider ID31795793

More details:






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

1-Piperazinecarboxamide, N-[(3-chloro-4-fluorophenyl)methyl]-4-[(2,5-dimethoxyphenyl)methyl]- [ACD/Index Name]
N-(3-Chlor-4-fluorbenzyl)-4-(2,5-dimethoxybenzyl)-1-piperazincarboxamid [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorobenzyl)-4-(2,5-dimethoxybenzyl)-1-piperazinecarboxamide [ACD/IUPAC Name]
N-(3-Chloro-4-fluorobenzyl)-4-(2,5-diméthoxybenzyl)-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 602.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 318.0±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 110.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 42.24
ACD/KOC (pH 5.5): 319.40
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 204.70
ACD/KOC (pH 7.4): 1547.68
Polar Surface Area: 54 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 331.8±3.0 cm3

Click to predict properties on the Chemicalize site






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