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Search term: XZDUBNODKZYWIO-CJYOKPGZSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-[2-(5-Acetyl-2,5-diazabicyclo[2.2.1]hept-2-yl)-2-oxoethyl]-6-chloro-N-(4-isoquinolinyl)-4-chromanecarboxamide | C28H27ClN4O4

4-[2-(5-Acetyl-2,5-diazabicyclo[2.2.1]hept-2-yl)-2-oxoethyl]-6-chloro-N-(4-isoquinolinyl)-4-chromanecarboxamide

  • Molecular FormulaC28H27ClN4O4
  • Average mass518.991 Da
  • Monoisotopic mass518.172058 Da
  • ChemSpider ID114935995

More details:

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

2H-1-Benzopyran-4-carboxamide, 4-[2-(5-acetyl-2,5-diazabicyclo[2.2.1]hept-2-yl)-2-oxoethyl]-6-chloro-3,4-dihydro-N-4-isoquinolinyl- [ACD/Index Name]
4-[2-(5-Acetyl-2,5-diazabicyclo[2.2.1]hept-2-yl)-2-oxoethyl]-6-chlor-N-(4-isochinolinyl)-4-chromancarboxamid [German] [ACD/IUPAC Name]
4-[2-(5-Acétyl-2,5-diazabicyclo[2.2.1]hept-2-yl)-2-oxoéthyl]-6-chloro-N-(4-isoquinoléinyl)-4-chromanecarboxamide [French] [ACD/IUPAC Name]
4-[2-(5-Acetyl-2,5-diazabicyclo[2.2.1]hept-2-yl)-2-oxoethyl]-6-chloro-N-(4-isoquinolinyl)-4-chromanecarboxamide [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 836.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 459.4±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 139.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 63.98
ACD/KOC (pH 5.5): 658.14
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.72
ACD/KOC (pH 7.4): 748.10
Polar Surface Area: 92 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 369.5±3.0 cm3

Click to predict properties on the Chemicalize site


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