ChemSpider 2D Image | 1-(4-{5-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl}-1-piperazinyl)-2-ethyl-1-hexanone | C30H43N3O6S

1-(4-{5-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl}-1-piperazinyl)-2-ethyl-1-hexanone

  • Molecular FormulaC30H43N3O6S
  • Average mass573.744 Da
  • Monoisotopic mass573.287231 Da
  • ChemSpider ID22734640

More details:

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

1-(4-{5-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)sulfonyl]-2-methoxyphenyl}-1-piperazinyl)-2-ethyl-1-hexanon [German] [ACD/IUPAC Name]
1-(4-{5-[(6,7-Diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)sulfonyl]-2-méthoxyphényl}-1-pipérazinyl)-2-éthyl-1-hexanone [French] [ACD/IUPAC Name]
1-(4-{5-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl}-1-piperazinyl)-2-ethyl-1-hexanone [ACD/IUPAC Name]
1-Hexanone, 1-[4-[5-[(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)sulfonyl]-2-methoxyphenyl]-1-piperazinyl]-2-ethyl- [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: 746.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 405.3±35.7 °C
Index of Refraction: 1.565
Molar Refractivity: 156.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3479.12
ACD/KOC (pH 5.5): 11928.17
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3479.23
ACD/KOC (pH 7.4): 11928.56
Polar Surface Area: 97 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 480.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement