ChemSpider 2D Image | 1-(1-Cyclohexyl-3,4-dihydro-2(1H)-isoquinolinyl)-2-{[2-(2,6-dichlorophenyl)ethyl]amino}ethanone | C25H30Cl2N2O

1-(1-Cyclohexyl-3,4-dihydro-2(1H)-isoquinolinyl)-2-{[2-(2,6-dichlorophenyl)ethyl]amino}ethanone

  • Molecular FormulaC25H30Cl2N2O
  • Average mass445.424 Da
  • Monoisotopic mass444.173523 Da
  • ChemSpider ID58127880

More details:

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

1-(1-Cyclohexyl-3,4-dihydro-2(1H)-isochinolinyl)-2-{[2-(2,6-dichlorphenyl)ethyl]amino}ethanon [German] [ACD/IUPAC Name]
1-(1-Cyclohexyl-3,4-dihydro-2(1H)-isoquinoléinyl)-2-{[2-(2,6-dichlorophényl)éthyl]amino}éthanone [French] [ACD/IUPAC Name]
1-(1-Cyclohexyl-3,4-dihydro-2(1H)-isoquinolinyl)-2-{[2-(2,6-dichlorophenyl)ethyl]amino}ethanone [ACD/IUPAC Name]
Ethanone, 1-(1-cyclohexyl-3,4-dihydro-2(1H)-isoquinolinyl)-2-[[2-(2,6-dichlorophenyl)ethyl]amino]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3356242/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.2±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 124.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.04
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 1400.58
ACD/KOC (pH 5.5): 2407.14
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 29267.00
ACD/KOC (pH 7.4): 50300.46
Polar Surface Area: 32 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 365.1±3.0 cm3

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