ChemSpider 2D Image | Methyl 5-(4-{5-[(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl}-1-piperazinyl)-5-oxopentanoate | C28H37N3O8S

Methyl 5-(4-{5-[(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl}-1-piperazinyl)-5-oxopentanoate

  • Molecular FormulaC28H37N3O8S
  • Average mass575.674 Da
  • Monoisotopic mass575.230164 Da
  • ChemSpider ID22734420

More details:

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

1-Piperazinepentanoic acid, 4-[5-[(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl]-δ-oxo-, methyl ester [ACD/Index Name]
5-(4-{5-[(6,7-Diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)sulfonyl]-2-méthoxyphényl}-1-pipérazinyl)-5-oxopentanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-(4-{5-[(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl}-1-piperazinyl)-5-oxopentanoate [ACD/IUPAC Name]
Methyl-5-(4-{5-[(6,7-dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)sulfonyl]-2-methoxyphenyl}-1-piperazinyl)-5-oxopentanoat [German] [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: 772.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 421.3±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: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 95.05
ACD/KOC (pH 5.5): 906.63
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 95.05
ACD/KOC (pH 7.4): 906.66
Polar Surface Area: 123 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 450.7±3.0 cm3

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