Found 578 results

Search term: MF = 'C_{25}H_{27}NO_{3}S'
ChemSpider 2D Image | 1-(6,7-Dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-4-(2-thienyl)-1-butanone | C25H27NO3S

1-(6,7-Dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-4-(2-thienyl)-1-butanone

  • Molecular FormulaC25H27NO3S
  • Average mass421.552 Da
  • Monoisotopic mass421.171173 Da
  • ChemSpider ID21937554

More details:

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

1-(6,7-Dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isochinolinyl)-4-(2-thienyl)-1-butanon [German] [ACD/IUPAC Name]
1-(6,7-Diméthoxy-1-phényl-3,4-dihydro-2(1H)-isoquinoléinyl)-4-(2-thiényl)-1-butanone [French] [ACD/IUPAC Name]
1-(6,7-Dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-4-(2-thienyl)-1-butanone [ACD/IUPAC Name]
1-Butanone, 1-(3,4-dihydro-6,7-dimethoxy-1-phenyl-2(1H)-isoquinolinyl)-4-(2-thienyl)- [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: 596.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.3±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 121.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2620.66
ACD/KOC (pH 5.5): 9738.55
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2620.66
ACD/KOC (pH 7.4): 9738.55
Polar Surface Area: 67 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 354.0±3.0 cm3

Click to predict properties on the Chemicalize site


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