ChemSpider 2D Image | N-[3-(Dipropylamino)propyl]-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide | C29H41N3O4S

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

  • Molecular FormulaC29H41N3O4S
  • Average mass527.719 Da
  • Monoisotopic mass527.281799 Da
  • ChemSpider ID20232513

More details:

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

4-Isoquinolinecarboxamide, N-[3-(dipropylamino)propyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-1-oxo- [ACD/Index Name]
N-[3-(Dipropylamino)propyl]-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydro-4-isochinolincarboxamid [German] [ACD/IUPAC Name]
N-[3-(Dipropylamino)propyl]-6,7-diméthoxy-2-méthyl-3-[4-(méthylsulfanyl)phényl]-1-oxo-1,2,3,4-tétrahydro-4-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
N-[3-(Dipropylamino)propyl]-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: 702.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.6±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 151.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.70
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 4.42
ACD/KOC (pH 7.4): 26.17
Polar Surface Area: 96 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 446.9±5.0 cm3

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