ChemSpider 2D Image | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | C26H28ClN5O4S

4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE

  • Molecular FormulaC26H28ClN5O4S
  • Average mass542.050 Da
  • Monoisotopic mass541.155029 Da
  • ChemSpider ID7874563
  • Double-bond stereo - Double-bond stereo


More details:






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

4-[(6-Chlor-2-naphthyl)sulfonyl]-1-({4-[(E)-(hydroxyimino)methyl]-1-(4-pyridinyl)-4-piperidinyl}methyl)-2-piperazinon [German] [ACD/IUPAC Name]
4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE
4-[(6-Chloro-2-naphthyl)sulfonyl]-1-({4-[(E)-(hydroxyimino)methyl]-1-(4-pyridinyl)-4-piperidinyl}methyl)-2-piperazinone [ACD/IUPAC Name]
4-[(6-Chloro-2-naphtyl)sulfonyl]-1-({4-[(E)-(hydroxyimino)méthyl]-1-(4-pyridinyl)-4-pipéridinyl}méthyl)-2-pipérazinone [French] [ACD/IUPAC Name]
4-Piperidinecarboxaldehyde, 4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-1-(4-pyridinyl)-, 4-oxime [ACD/Index Name]
XME

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

Density: 1.4±0.1 g/cm3
Boiling Point: 798.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 436.8±35.7 °C
Index of Refraction: 1.685
Molar Refractivity: 144.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.25
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.77
Polar Surface Area: 115 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 61.5±7.0 dyne/cm
Molar Volume: 379.3±7.0 cm3

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