ChemSpider 2D Image | Ethyl 5-(4-{5-[(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl}-1-piperazinyl)-5-oxopentanoate | C29H39N3O8S

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

  • Molecular FormulaC29H39N3O8S
  • Average mass589.700 Da
  • Monoisotopic mass589.245789 Da
  • ChemSpider ID22736562

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-, ethyl ester [ACD/Index Name]
5-(4-{5-[(6,7-Diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)sulfonyl]-2-méthoxyphényl}-1-pipérazinyl)-5-oxopentanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(4-{5-[(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl}-1-piperazinyl)-5-oxopentanoate [ACD/IUPAC Name]
Ethyl-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: 778.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 424.9±35.7 °C
Index of Refraction: 1.572
Molar Refractivity: 153.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 182.53
ACD/KOC (pH 5.5): 1446.32
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 182.54
ACD/KOC (pH 7.4): 1446.37
Polar Surface Area: 123 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 467.2±3.0 cm3

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