ChemSpider 2D Image | TCMDC-140986 | C35H40N4O4

TCMDC-140986

  • Molecular FormulaC35H40N4O4
  • Average mass580.716 Da
  • Monoisotopic mass580.304932 Da
  • ChemSpider ID24580665

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2(1H)-Isoquinolineacetamide, 3,4-dihydro-N-[1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-4-piperidinyl]-α-(4-methoxyphenyl)- [ACD/Index Name]
2-(3,4-Dihydro-2(1H)-isochinolinyl)-N-{1-[(2R)-2-hydroxy-2-(6-methoxy-4-chinolinyl)ethyl]-4-piperidinyl}-2-(4-methoxyphenyl)acetamid [German] [ACD/IUPAC Name]
2-(3,4-Dihydro-2(1H)-isoquinoléinyl)-N-{1-[(2R)-2-hydroxy-2-(6-méthoxy-4-quinoléinyl)éthyl]-4-pipéridinyl}-2-(4-méthoxyphényl)acétamide [French] [ACD/IUPAC Name]
2-(3,4-Dihydro-2(1H)-isoquinolinyl)-N-{1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-4-piperidinyl}-2-(4-methoxyphenyl)acetamide [ACD/IUPAC Name]
2-(3,4-Dihydroisoquinolin-2(1H)-yl)-N-{1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl}-2-(4-methoxyphenyl)acetamide
TCMDC-140986
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.696941519 GlaxoSmithKline Malaria Set

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

Density: 1.3±0.1 g/cm3
Boiling Point: 801.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.2±3.0 kJ/mol
Flash Point: 438.4±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 168.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 17.90
ACD/KOC (pH 5.5): 72.19
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1154.00
ACD/KOC (pH 7.4): 4654.85
Polar Surface Area: 87 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 451.3±5.0 cm3

Click to predict properties on the Chemicalize site


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