ChemSpider 2D Image | 2-[6-{4-[5-(4-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-piperazinyl}-2-(3-methoxyphenyl)-4-pyrimidinyl]-1,2,3,4-tetrahydroisoquinoline | C33H33ClN8O

2-[6-{4-[5-(4-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-piperazinyl}-2-(3-methoxyphenyl)-4-pyrimidinyl]-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC33H33ClN8O
  • Average mass593.121 Da
  • Monoisotopic mass592.246582 Da
  • ChemSpider ID121909868

More details:

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

2-[6-{4-[5-(4-Chlorophényl)-4-méthyl-4H-1,2,4-triazol-3-yl]-1-pipérazinyl}-2-(3-méthoxyphényl)-4-pyrimidinyl]-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
2-[6-{4-[5-(4-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-piperazinyl}-2-(3-methoxyphenyl)-4-pyrimidinyl]-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
2-[6-{4-[5-(4-Chlorphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-piperazinyl}-2-(3-methoxyphenyl)-4-pyrimidinyl]-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
Isoquinoline, 2-[6-[4-[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-piperazinyl]-2-(3-methoxyphenyl)-4-pyrimidinyl]-1,2,3,4-tetrahydro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 760.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 413.9±35.7 °C
Index of Refraction: 1.704
Molar Refractivity: 170.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 16.74
ACD/KOC (pH 5.5): 47.58
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 227.31
ACD/KOC (pH 7.4): 645.94
Polar Surface Area: 75 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 439.3±7.0 cm3

Click to predict properties on the Chemicalize site


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