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Search term: YKXTXQJFMGBJLD-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{4-[2-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]phenyl}-2-[(4-methylbenzoyl)amino]benzamide | C34H35N3O4

N-{4-[2-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]phenyl}-2-[(4-methylbenzoyl)amino]benzamide

  • Molecular FormulaC34H35N3O4
  • Average mass549.659 Da
  • Monoisotopic mass549.262756 Da
  • ChemSpider ID13613555

More details:

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

Benzamide, N-[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]-2-[(4-methylbenzoyl)amino]- [ACD/Index Name]
N-{4-[2-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)ethyl]phenyl}-2-[(4-methylbenzoyl)amino]benzamid [German] [ACD/IUPAC Name]
N-{4-[2-(6,7-Diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)éthyl]phényl}-2-[(4-méthylbenzoyl)amino]benzamide [French] [ACD/IUPAC Name]
N-{4-[2-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]phenyl}-2-[(4-methylbenzoyl)amino]benzamide [ACD/IUPAC Name]
N-{4-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl]phenyl}-2-[(4-methylbenzoyl)amino]benzamide
1-N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]phenyl}-2-C-(4-methylbenzene)benzene-1,2-dicarboxamide
XR-9504

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 614.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 325.6±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 163.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 55.75
ACD/KOC (pH 5.5): 143.93
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 2742.79
ACD/KOC (pH 7.4): 7081.08
Polar Surface Area: 80 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 447.6±3.0 cm3

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