ChemSpider 2D Image | 6-({4-[4-(Methylsulfonyl)-2-nitrophenyl]-1-piperazinyl}carbonyl)-2-propyl-3(2H)-pyridazinone | C19H23N5O6S

6-({4-[4-(Methylsulfonyl)-2-nitrophenyl]-1-piperazinyl}carbonyl)-2-propyl-3(2H)-pyridazinone

  • Molecular FormulaC19H23N5O6S
  • Average mass449.481 Da
  • Monoisotopic mass449.136902 Da
  • ChemSpider ID22769405

More details:

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

3(2H)-Pyridazinone, 6-[[4-[4-(methylsulfonyl)-2-nitrophenyl]-1-piperazinyl]carbonyl]-2-propyl- [ACD/Index Name]
6-({4-[4-(Methylsulfonyl)-2-nitrophenyl]-1-piperazinyl}carbonyl)-2-propyl-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
6-({4-[4-(Methylsulfonyl)-2-nitrophenyl]-1-piperazinyl}carbonyl)-2-propyl-3(2H)-pyridazinone [ACD/IUPAC Name]
6-({4-[4-(Méthylsulfonyl)-2-nitrophényl]-1-pipérazinyl}carbonyl)-2-propyl-3(2H)-pyridazinone [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 667.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 357.8±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 114.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.64
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.64
Polar Surface Area: 145 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 308.2±7.0 cm3

Click to predict properties on the Chemicalize site


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