ChemSpider 2D Image | 4-Chloro-5-{4-[2-(2-methoxyphenoxy)ethyl]-1-piperazinyl}-2-{5-[4-(2-methoxyphenyl)-1-piperazinyl]pentyl}-3(2H)-pyridazinone | C33H45ClN6O4

4-Chloro-5-{4-[2-(2-methoxyphenoxy)ethyl]-1-piperazinyl}-2-{5-[4-(2-methoxyphenyl)-1-piperazinyl]pentyl}-3(2H)-pyridazinone

  • Molecular FormulaC33H45ClN6O4
  • Average mass625.201 Da
  • Monoisotopic mass624.319092 Da
  • ChemSpider ID23158742

More details:

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

3(2H)-Pyridazinone, 4-chloro-5-[4-[2-(2-methoxyphenoxy)ethyl]-1-piperazinyl]-2-[5-[4-(2-methoxyphenyl)-1-piperazinyl]pentyl]- [ACD/Index Name]
4-Chlor-5-{4-[2-(2-methoxyphenoxy)ethyl]-1-piperazinyl}-2-{5-[4-(2-methoxyphenyl)-1-piperazinyl]pentyl}-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
4-Chloro-5-{4-[2-(2-methoxyphenoxy)ethyl]-1-piperazinyl}-2-{5-[4-(2-methoxyphenyl)-1-piperazinyl]pentyl}-3(2H)-pyridazinone [ACD/IUPAC Name]
4-Chloro-5-{4-[2-(2-méthoxyphénoxy)éthyl]-1-pipérazinyl}-2-{5-[4-(2-méthoxyphényl)-1-pipérazinyl]pentyl}-3(2H)-pyridazinone [French] [ACD/IUPAC Name]
4-chloro-5-{4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl}-2-{5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl}pyridazin-3(2H)-one
4-Chloro-5-{4-[2-(2-methoxy-phenoxy)-ethyl]-piperazin-1-yl}-2-{5-[4-(2-methoxy-phenyl)-piperazin-1-yl]-pentyl}-2H-pyridazin-3-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL304783/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 718.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 388.2±35.7 °C
Index of Refraction: 1.608
Molar Refractivity: 174.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 109.74
ACD/KOC (pH 7.4): 685.18
Polar Surface Area: 73 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 503.2±7.0 cm3

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