ChemSpider 2D Image | N-[3-(1-Azepanyl)propyl]-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide | C30H41N3O6

N-[3-(1-Azepanyl)propyl]-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide

  • Molecular FormulaC30H41N3O6
  • Average mass539.663 Da
  • Monoisotopic mass539.299561 Da
  • ChemSpider ID20228173

More details:

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

4-Isoquinolinecarboxamide, 3-(3,4-dimethoxyphenyl)-N-[3-(hexahydro-1H-azepin-1-yl)propyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-oxo- [ACD/Index Name]
N-[3-(1-Azepanyl)propyl]-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isochinolincarboxamid [German] [ACD/IUPAC Name]
N-[3-(1-Azépanyl)propyl]-3-(3,4-diméthoxyphényl)-6,7-diméthoxy-2-méthyl-1-oxo-1,2,3,4-tétrahydro-4-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
N-[3-(1-Azepanyl)propyl]-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-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: 724.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 392.1±32.9 °C
Index of Refraction: 1.550
Molar Refractivity: 149.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.14
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 11.32
Polar Surface Area: 90 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 468.4±3.0 cm3

Click to predict properties on the Chemicalize site


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