ChemSpider 2D Image | 4-({4-[(4-Methyl-1-piperazinyl)sulfonyl]-1-piperazinyl}carbonyl)-2-pentyl-1(2H)-phthalazinone | C23H34N6O4S

4-({4-[(4-Methyl-1-piperazinyl)sulfonyl]-1-piperazinyl}carbonyl)-2-pentyl-1(2H)-phthalazinone

  • Molecular FormulaC23H34N6O4S
  • Average mass490.619 Da
  • Monoisotopic mass490.236237 Da
  • ChemSpider ID33377024

More details:

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

1(2H)-Phthalazinone, 4-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]carbonyl]-2-pentyl- [ACD/Index Name]
4-({4-[(4-Méthyl-1-pipérazinyl)sulfonyl]-1-pipérazinyl}carbonyl)-2-pentyl-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
4-({4-[(4-Methyl-1-piperazinyl)sulfonyl]-1-piperazinyl}carbonyl)-2-pentyl-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
4-({4-[(4-Methyl-1-piperazinyl)sulfonyl]-1-piperazinyl}carbonyl)-2-pentyl-1(2H)-phthalazinone [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 648.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 345.9±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 132.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.58
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.88
ACD/KOC (pH 7.4): 50.62
Polar Surface Area: 105 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 360.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement