ChemSpider 2D Image | 1-(4-{5-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl}-1-piperazinyl)-2-methyl-1-oxo-2-propanyl acetate | C28H37N3O8S

1-(4-{5-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl}-1-piperazinyl)-2-methyl-1-oxo-2-propanyl acetate

  • Molecular FormulaC28H37N3O8S
  • Average mass575.674 Da
  • Monoisotopic mass575.230164 Da
  • ChemSpider ID22733941

More details:

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

1-(4-{5-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)sulfonyl]-2-methoxyphenyl}-1-piperazinyl)-2-methyl-1-oxo-2-propanyl-acetat [German] [ACD/IUPAC Name]
1-(4-{5-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl}-1-piperazinyl)-2-methyl-1-oxo-2-propanyl acetate [ACD/IUPAC Name]
1-Propanone, 2-(acetyloxy)-1-[4-[5-[(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl]-1-piperazinyl]-2-methyl- [ACD/Index Name]
Acétate de 1-(4-{5-[(6,7-diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)sulfonyl]-2-méthoxyphényl}-1-pipérazinyl)-2-méthyl-1-oxo-2-propanyle [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: 755.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 410.5±35.7 °C
Index of Refraction: 1.576
Molar Refractivity: 149.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.24
ACD/KOC (pH 5.5): 1129.68
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.25
ACD/KOC (pH 7.4): 1129.70
Polar Surface Area: 123 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 450.7±3.0 cm3

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