ChemSpider 2D Image | 1-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-(1-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}cyclopentyl)ethanone | C29H37N3O3

1-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-(1-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}cyclopentyl)ethanone

  • Molecular FormulaC29H37N3O3
  • Average mass475.622 Da
  • Monoisotopic mass475.283478 Da
  • ChemSpider ID21596850

More details:

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

1-(3,4-Dihydro-2(1H)-isochinolinyl)-2-(1-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}cyclopentyl)ethanon [German] [ACD/IUPAC Name]
1-(3,4-Dihydro-2(1H)-isoquinoléinyl)-2-(1-{2-[4-(2-méthoxyphényl)-1-pipérazinyl]-2-oxoéthyl}cyclopentyl)éthanone [French] [ACD/IUPAC Name]
1-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-(1-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}cyclopentyl)ethanone [ACD/IUPAC Name]
Ethanone, 1-(3,4-dihydro-2(1H)-isoquinolinyl)-2-[1-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]cyclopentyl]- [ACD/Index Name]
1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(1-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-cyclopentyl)-ethanone
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)ethanone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 696.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 375.0±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 136.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 702.38
ACD/KOC (pH 5.5): 3791.96
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 704.13
ACD/KOC (pH 7.4): 3801.44
Polar Surface Area: 53 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 405.8±3.0 cm3

Click to predict properties on the Chemicalize site


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