ChemSpider 2D Image | (4-{5-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl}-1-piperazinyl)(5-nitrotetrahydro-2-furanyl)methanone | C27H34N4O9S

(4-{5-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl}-1-piperazinyl)(5-nitrotetrahydro-2-furanyl)methanone

  • Molecular FormulaC27H34N4O9S
  • Average mass590.645 Da
  • Monoisotopic mass590.204651 Da
  • ChemSpider ID110011152

More details:

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

(4-{5-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)sulfonyl]-2-methoxyphenyl}-1-piperazinyl)(5-nitrotetrahydro-2-furanyl)methanon [German] [ACD/IUPAC Name]
(4-{5-[(6,7-Diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)sulfonyl]-2-méthoxyphényl}-1-pipérazinyl)(5-nitrotétrahydro-2-furanyl)méthanone [French] [ACD/IUPAC Name]
(4-{5-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl}-1-piperazinyl)(5-nitrotetrahydro-2-furanyl)methanone [ACD/IUPAC Name]
Methanone, [4-[5-[(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl]-1-piperazinyl](tetrahydro-5-nitro-2-furanyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 825.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 453.0±37.1 °C
Index of Refraction: 1.649
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.38
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.06
Polar Surface Area: 152 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 406.9±5.0 cm3

Click to predict properties on the Chemicalize site


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