ChemSpider 2D Image | 4-({4-[(4-Acetyl-1-piperazinyl)carbonyl]phenyl}amino)-5-(3-isopropylphenoxy)-2-(4-methoxyphenyl)-3(2H)-pyridazinone | C33H35N5O5

4-({4-[(4-Acetyl-1-piperazinyl)carbonyl]phenyl}amino)-5-(3-isopropylphenoxy)-2-(4-methoxyphenyl)-3(2H)-pyridazinone

  • Molecular FormulaC33H35N5O5
  • Average mass581.661 Da
  • Monoisotopic mass581.263794 Da
  • ChemSpider ID21556420

More details:

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

3(2H)-Pyridazinone, 4-[[4-[(4-acetyl-1-piperazinyl)carbonyl]phenyl]amino]-2-(4-methoxyphenyl)-5-[3-(1-methylethyl)phenoxy]- [ACD/Index Name]
4-({4-[(4-Acetyl-1-piperazinyl)carbonyl]phenyl}amino)-5-(3-isopropylphenoxy)-2-(4-methoxyphenyl)-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
4-({4-[(4-Acetyl-1-piperazinyl)carbonyl]phenyl}amino)-5-(3-isopropylphenoxy)-2-(4-methoxyphenyl)-3(2H)-pyridazinone [ACD/IUPAC Name]
4-({4-[(4-Acétyl-1-pipérazinyl)carbonyl]phényl}amino)-5-(3-isopropylphénoxy)-2-(4-méthoxyphényl)-3(2H)-pyridazinone [French] [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: 746.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 405.3±35.7 °C
Index of Refraction: 1.628
Molar Refractivity: 164.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 176.59
ACD/KOC (pH 5.5): 1412.47
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 176.59
ACD/KOC (pH 7.4): 1412.48
Polar Surface Area: 104 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 463.4±7.0 cm3

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