ChemSpider 2D Image | 1-{4-[5-(3,4-Dihydro-2(1H)-isoquinolinylsulfonyl)-2-methoxyphenyl]-1-piperazinyl}-2-ethyl-1-hexanone | C28H39N3O4S

1-{4-[5-(3,4-Dihydro-2(1H)-isoquinolinylsulfonyl)-2-methoxyphenyl]-1-piperazinyl}-2-ethyl-1-hexanone

  • Molecular FormulaC28H39N3O4S
  • Average mass513.692 Da
  • Monoisotopic mass513.266113 Da
  • ChemSpider ID22734225

More details:

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

1-{4-[5-(3,4-Dihydro-2(1H)-isochinolinylsulfonyl)-2-methoxyphenyl]-1-piperazinyl}-2-ethyl-1-hexanon [German] [ACD/IUPAC Name]
1-{4-[5-(3,4-Dihydro-2(1H)-isoquinoléinylsulfonyl)-2-méthoxyphényl]-1-pipérazinyl}-2-éthyl-1-hexanone [French] [ACD/IUPAC Name]
1-{4-[5-(3,4-Dihydro-2(1H)-isoquinolinylsulfonyl)-2-methoxyphenyl]-1-piperazinyl}-2-ethyl-1-hexanone [ACD/IUPAC Name]
1-Hexanone, 1-[4-[5-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl]-1-piperazinyl]-2-ethyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 703.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.4±35.7 °C
Index of Refraction: 1.579
Molar Refractivity: 143.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6989.52
ACD/KOC (pH 5.5): 19653.54
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6989.82
ACD/KOC (pH 7.4): 19654.38
Polar Surface Area: 79 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 432.6±3.0 cm3

Click to predict properties on the Chemicalize site


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