ChemSpider 2D Image | (3s,5s,7s)-Adamantan-1-yl[1-(2-chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]methanone | C26H28ClNO

(3s,5s,7s)-Adamantan-1-yl[1-(2-chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]methanone

  • Molecular FormulaC26H28ClNO
  • Average mass405.960 Da
  • Monoisotopic mass405.185944 Da
  • ChemSpider ID29224566

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(3s,5s,7s)-Adamantan-1-yl[1-(2-chlorophényl)-3,4-dihydro-2(1H)-isoquinoléinyl]méthanone [French] [ACD/IUPAC Name]
(3s,5s,7s)-Adamantan-1-yl[1-(2-chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]methanone [ACD/IUPAC Name]
(3s,5s,7s)-Adamantan-1-yl[1-(2-chlorphenyl)-3,4-dihydro-2(1H)-isochinolinyl]methanon [German] [ACD/IUPAC Name]
Methanone, [1-(2-chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 554.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 289.0±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 116.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 52411.79
ACD/KOC (pH 5.5): 83128.37
ACD/LogD (pH 7.4): 6.51
ACD/BCF (pH 7.4): 52411.79
ACD/KOC (pH 7.4): 83128.37
Polar Surface Area: 20 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 325.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement