ChemSpider 2D Image | 4-Chloro-5-[4-(2-furoyl)-1-piperazinyl]-2-{7-[4-(2-isopropoxyphenyl)-1-piperazinyl]heptyl}-3(2H)-pyridazinone | C33H45ClN6O4

4-Chloro-5-[4-(2-furoyl)-1-piperazinyl]-2-{7-[4-(2-isopropoxyphenyl)-1-piperazinyl]heptyl}-3(2H)-pyridazinone

  • Molecular FormulaC33H45ClN6O4
  • Average mass625.201 Da
  • Monoisotopic mass624.319092 Da
  • ChemSpider ID8253224

More details:

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

3(2H)-Pyridazinone, 4-chloro-5-[4-(2-furanylcarbonyl)-1-piperazinyl]-2-[7-[4-[2-(1-methylethoxy)phenyl]-1-piperazinyl]heptyl]- [ACD/Index Name]
4-Chlor-5-[4-(2-furoyl)-1-piperazinyl]-2-{7-[4-(2-isopropoxyphenyl)-1-piperazinyl]heptyl}-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
4-Chloro-5-[4-(2-furoyl)-1-piperazinyl]-2-{7-[4-(2-isopropoxyphenyl)-1-piperazinyl]heptyl}-3(2H)-pyridazinone [ACD/IUPAC Name]
4-Chloro-5-[4-(2-furoyl)-1-pipérazinyl]-2-{7-[4-(2-isopropoxyphényl)-1-pipérazinyl]heptyl}-3(2H)-pyridazinone [French] [ACD/IUPAC Name]
4-Chloro-5-[4-(furan-2-carbonyl)-piperazin-1-yl]-2-{7-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-heptyl}-2H-pyridazin-3-one
CHEMBL47792

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

Density: 1.3±0.1 g/cm3
Boiling Point: 724.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.2±35.7 °C
Index of Refraction: 1.620
Molar Refractivity: 173.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 3.88
ACD/KOC (pH 5.5): 20.14
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 158.17
ACD/KOC (pH 7.4): 821.77
Polar Surface Area: 85 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 493.9±7.0 cm3

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