ChemSpider 2D Image | 4-(4-Cyano-1-phenyl-5,6,7,8-tetrahydro-3-isoquinolinyl)-N-(3,4-dichlorophenyl)-1-piperazinecarboxamide | C27H25Cl2N5O

4-(4-Cyano-1-phenyl-5,6,7,8-tetrahydro-3-isoquinolinyl)-N-(3,4-dichlorophenyl)-1-piperazinecarboxamide

  • Molecular FormulaC27H25Cl2N5O
  • Average mass506.426 Da
  • Monoisotopic mass505.143616 Da
  • ChemSpider ID20205299

More details:

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

1-Piperazinecarboxamide, 4-(4-cyano-5,6,7,8-tetrahydro-1-phenyl-3-isoquinolinyl)-N-(3,4-dichlorophenyl)- [ACD/Index Name]
4-(4-Cyan-1-phenyl-5,6,7,8-tetrahydro-3-isochinolinyl)-N-(3,4-dichlorphenyl)-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-(4-Cyano-1-phényl-5,6,7,8-tétrahydro-3-isoquinoléinyl)-N-(3,4-dichlorophényl)-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
4-(4-Cyano-1-phenyl-5,6,7,8-tetrahydro-3-isoquinolinyl)-N-(3,4-dichlorophenyl)-1-piperazinecarboxamide [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: 780.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 425.6±32.9 °C
Index of Refraction: 1.693
Molar Refractivity: 137.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15956.85
ACD/KOC (pH 5.5): 35477.69
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15968.85
ACD/KOC (pH 7.4): 35504.39
Polar Surface Area: 72 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 74.3±5.0 dyne/cm
Molar Volume: 358.1±5.0 cm3

Click to predict properties on the Chemicalize site


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