ChemSpider 2D Image | N-(2-Furylmethyl)-3-[(4E)-4-{[(6-methyl-2-pyridinyl)amino]methylene}-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]benzenesulfonamide | C27H22N4O5S

N-(2-Furylmethyl)-3-[(4E)-4-{[(6-methyl-2-pyridinyl)amino]methylene}-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]benzenesulfonamide

  • Molecular FormulaC27H22N4O5S
  • Average mass514.552 Da
  • Monoisotopic mass514.131104 Da
  • ChemSpider ID4725029

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzenesulfonamide, 3-[(4E)-3,4-dihydro-4-[[(6-methyl-2-pyridinyl)amino]methylene]-1,3-dioxo-2(1H)-isoquinolinyl]-N-(2-furanylmethyl)- [ACD/Index Name]
N-(2-Furylmethyl)-3-[(4E)-4-{[(6-methyl-2-pyridinyl)amino]methylen}-1,3-dioxo-3,4-dihydro-2(1H)-isochinolinyl]benzolsulfonamid [German] [ACD/IUPAC Name]
N-(2-Furylméthyl)-3-[(4E)-4-{[(6-méthyl-2-pyridinyl)amino]méthylène}-1,3-dioxo-3,4-dihydro-2(1H)-isoquinoléinyl]benzènesulfonamide [French] [ACD/IUPAC Name]
N-(2-Furylmethyl)-3-[(4E)-4-{[(6-methyl-2-pyridinyl)amino]methylene}-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]benzenesulfonamide [ACD/IUPAC 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: 758.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.5±35.7 °C
Index of Refraction: 1.703
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 132.50
ACD/KOC (pH 5.5): 1126.09
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 142.14
ACD/KOC (pH 7.4): 1207.99
Polar Surface Area: 130 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 75.1±3.0 dyne/cm
Molar Volume: 352.6±3.0 cm3

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