ChemSpider 2D Image | Ethyl (4-{[(5-{[4-(4-fluorobenzyl)-1-piperazinyl]carbonyl}-2-pyridinyl)carbonyl]amino}-1-piperidinyl)(phenyl)acetate | C33H38FN5O4

Ethyl (4-{[(5-{[4-(4-fluorobenzyl)-1-piperazinyl]carbonyl}-2-pyridinyl)carbonyl]amino}-1-piperidinyl)(phenyl)acetate

  • Molecular FormulaC33H38FN5O4
  • Average mass587.684 Da
  • Monoisotopic mass587.290771 Da
  • ChemSpider ID128977642

More details:

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

(4-{[(5-{[4-(4-Fluorobenzyl)-1-pipérazinyl]carbonyl}-2-pyridinyl)carbonyl]amino}-1-pipéridinyl)(phényl)acétate d'éthyle [French] [ACD/IUPAC Name]
1-Piperidineacetic acid, 4-[[[5-[[4-[(4-fluorophenyl)methyl]-1-piperazinyl]carbonyl]-2-pyridinyl]carbonyl]amino]-α-phenyl-, ethyl ester [ACD/Index Name]
Ethyl (4-{[(5-{[4-(4-fluorobenzyl)-1-piperazinyl]carbonyl}-2-pyridinyl)carbonyl]amino}-1-piperidinyl)(phenyl)acetate [ACD/IUPAC Name]
Ethyl-(4-{[(5-{[4-(4-fluorbenzyl)-1-piperazinyl]carbonyl}-2-pyridinyl)carbonyl]amino}-1-piperidinyl)(phenyl)acetat [German] [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: 745.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 404.6±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 161.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 4.00
ACD/KOC (pH 5.5): 41.99
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 62.88
ACD/KOC (pH 7.4): 659.84
Polar Surface Area: 95 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 452.1±5.0 cm3

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