ChemSpider 2D Image | N-[2-(Dipropylamino)ethyl]-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide | C28H39N3O4S

N-[2-(Dipropylamino)ethyl]-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide

  • Molecular FormulaC28H39N3O4S
  • Average mass513.692 Da
  • Monoisotopic mass513.266113 Da
  • ChemSpider ID20232512

More details:

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

4-Isoquinolinecarboxamide, N-[2-(dipropylamino)ethyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-1-oxo- [ACD/Index Name]
N-[2-(Dipropylamino)ethyl]-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydro-4-isochinolincarboxamid [German] [ACD/IUPAC Name]
N-[2-(Dipropylamino)éthyl]-6,7-diméthoxy-2-méthyl-3-[4-(méthylsulfanyl)phényl]-1-oxo-1,2,3,4-tétrahydro-4-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
N-[2-(Dipropylamino)ethyl]-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide [ACD/IUPAC 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: 691.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 372.1±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 146.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.73
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 25.22
ACD/KOC (pH 7.4): 136.82
Polar Surface Area: 96 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 430.8±5.0 cm3

Click to predict properties on the Chemicalize site


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