ChemSpider 2D Image | 3-{4-[(4-Ethoxyphenyl)sulfonyl]-1-piperazinyl}-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone | C23H32N6O4S

3-{4-[(4-Ethoxyphenyl)sulfonyl]-1-piperazinyl}-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone

  • Molecular FormulaC23H32N6O4S
  • Average mass488.603 Da
  • Monoisotopic mass488.220581 Da
  • ChemSpider ID21971443

More details:

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

1-Propanone, 3-[4-[(4-ethoxyphenyl)sulfonyl]-1-piperazinyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]- [ACD/Index Name]
3-{4-[(4-Ethoxyphenyl)sulfonyl]-1-piperazinyl}-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanon [German] [ACD/IUPAC Name]
3-{4-[(4-Ethoxyphenyl)sulfonyl]-1-piperazinyl}-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone [ACD/IUPAC Name]
3-{4-[(4-Éthoxyphényl)sulfonyl]-1-pipérazinyl}-1-[4-(2-pyrimidinyl)-1-pipérazinyl]-1-propanone [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: 714.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.7±35.7 °C
Index of Refraction: 1.598
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 2.84
ACD/KOC (pH 5.5): 43.67
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.80
ACD/KOC (pH 7.4): 258.56
Polar Surface Area: 108 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 379.3±3.0 cm3

Click to predict properties on the Chemicalize site


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