ChemSpider 2D Image | cis-4-Amino-N-(7-chloro-1-oxo-1,2-dihydro-6-isoquinolinyl)cyclohexanecarboxamide | C16H18ClN3O2

cis-4-Amino-N-(7-chloro-1-oxo-1,2-dihydro-6-isoquinolinyl)cyclohexanecarboxamide

  • Molecular FormulaC16H18ClN3O2
  • Average mass319.786 Da
  • Monoisotopic mass319.108765 Da
  • ChemSpider ID25053869

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

cis-4-Amino-N-(7-chlor-1-oxo-1,2-dihydro-6-isochinolinyl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
cis-4-Amino-N-(7-chloro-1-oxo-1,2-dihydro-6-isoquinoléinyl)cyclohexanecarboxamide [French] [ACD/IUPAC Name]
cis-4-Amino-N-(7-chloro-1-oxo-1,2-dihydro-6-isoquinolinyl)cyclohexanecarboxamide [ACD/IUPAC Name]
Cis-4-Amino-N-(7-Chloro-1-Oxo-1,2-Dihydroisoquinolin-6-Yl)cyclohexanecarboxamide
Cyclohexanecarboxamide, 4-amino-N-(7-chloro-1,2-dihydro-1-oxo-6-isoquinolinyl)-, cis- [ACD/Index Name]
3NC

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

Density: 1.3±0.1 g/cm3
Boiling Point: 639.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.3±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 85.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 237.2±3.0 cm3

Click to predict properties on the Chemicalize site


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