Found 1 result

Search term: GPTYSZBZQAEHFD-FQEVSTJZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4S)-6,7-Dichloro-N-(4-isoquinolinyl)-4-methoxy-4-chromanecarboxamide | C20H16Cl2N2O3

(4S)-6,7-Dichloro-N-(4-isoquinolinyl)-4-methoxy-4-chromanecarboxamide

  • Molecular FormulaC20H16Cl2N2O3
  • Average mass403.259 Da
  • Monoisotopic mass402.053802 Da
  • ChemSpider ID114933662

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-6,7-Dichlor-N-(4-isochinolinyl)-4-methoxy-4-chromancarboxamid [German] [ACD/IUPAC Name]
(4S)-6,7-Dichloro-N-(4-isoquinoléinyl)-4-méthoxy-4-chromanecarboxamide [French] [ACD/IUPAC Name]
(4S)-6,7-Dichloro-N-(4-isoquinolinyl)-4-methoxy-4-chromanecarboxamide [ACD/IUPAC Name]
2H-1-Benzopyran-4-carboxamide, 6,7-dichloro-3,4-dihydro-N-4-isoquinolinyl-4-methoxy-, (4S)- [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: 637.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.5±31.5 °C
Index of Refraction: 1.678
Molar Refractivity: 104.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1352.76
ACD/KOC (pH 5.5): 5869.67
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1516.49
ACD/KOC (pH 7.4): 6580.12
Polar Surface Area: 60 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 278.1±5.0 cm3

Click to predict properties on the Chemicalize site


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