ChemSpider 2D Image | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | C26H29ClN4O4S

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

  • Molecular FormulaC26H29ClN4O4S
  • Average mass529.051 Da
  • Monoisotopic mass528.159790 Da
  • ChemSpider ID4451521

More details:

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

2-Piperazinone, 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[4-(hydroxymethyl)-1-(4-pyridinyl)-4-piperidinyl]methyl]- [ACD/Index Name]
4-[(6-Chlor-2-naphthyl)sulfonyl]-1-{[4-(hydroxymethyl)-1-(4-pyridinyl)-4-piperidinyl]methyl}-2-piperazinon [German] [ACD/IUPAC Name]
4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE
4-[(6-Chloro-2-naphthyl)sulfonyl]-1-{[4-(hydroxymethyl)-1-(4-pyridinyl)-4-piperidinyl]methyl}-2-piperazinone [ACD/IUPAC Name]
4-[(6-Chloro-2-naphtyl)sulfonyl]-1-{[4-(hydroxyméthyl)-1-(4-pyridinyl)-4-pipéridinyl]méthyl}-2-pipérazinone [French] [ACD/IUPAC Name]
XMF

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

Density: 1.4±0.1 g/cm3
Boiling Point: 770.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 420.0±35.7 °C
Index of Refraction: 1.653
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.56
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.01
Polar Surface Area: 102 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 384.0±3.0 cm3

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