ChemSpider 2D Image | 1-(2,3-Dihydro-1H-inden-5-yl)-1-oxo-2-propanyl 3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)benzoate | C28H27NO5S

1-(2,3-Dihydro-1H-inden-5-yl)-1-oxo-2-propanyl 3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)benzoate

  • Molecular FormulaC28H27NO5S
  • Average mass489.583 Da
  • Monoisotopic mass489.160980 Da
  • ChemSpider ID29797723

More details:

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

1-(2,3-Dihydro-1H-inden-5-yl)-1-oxo-2-propanyl 3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)benzoate [ACD/IUPAC Name]
1-(2,3-Dihydro-1H-inden-5-yl)-1-oxo-2-propanyl-3-(3,4-dihydro-2(1H)-isochinolinylsulfonyl)benzoat [German] [ACD/IUPAC Name]
3-(3,4-Dihydro-2(1H)-isoquinoléinylsulfonyl)benzoate de 1-(2,3-dihydro-1H-indén-5-yl)-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-, 2-(2,3-dihydro-1H-inden-5-yl)-1-methyl-2-oxoethyl ester [ACD/Index 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: 720.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.3±35.7 °C
Index of Refraction: 1.629
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19766.51
ACD/KOC (pH 5.5): 41363.08
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19766.51
ACD/KOC (pH 7.4): 41363.08
Polar Surface Area: 89 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 374.4±3.0 cm3

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