ChemSpider 2D Image | 2-(6-{4-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl}-2-isopropyl-4-pyrimidinyl)-1,2,3,4-tetrahydroisoquinoline | C28H30ClN7O

2-(6-{4-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl}-2-isopropyl-4-pyrimidinyl)-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC28H30ClN7O
  • Average mass516.037 Da
  • Monoisotopic mass515.220032 Da
  • ChemSpider ID121807731

More details:

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

2-(6-{4-[5-(4-Chlorophényl)-1,3,4-oxadiazol-2-yl]-1-pipérazinyl}-2-isopropyl-4-pyrimidinyl)-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
2-(6-{4-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl}-2-isopropyl-4-pyrimidinyl)-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
2-(6-{4-[5-(4-Chlorphenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl}-2-isopropyl-4-pyrimidinyl)-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
Isoquinoline, 2-[6-[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl]-2-(1-methylethyl)-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: 1.3±0.1 g/cm3
Boiling Point: 705.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.4±35.7 °C
Index of Refraction: 1.630
Molar Refractivity: 143.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 7.41
ACD/KOC (pH 5.5): 28.56
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 15.97
ACD/KOC (pH 7.4): 61.49
Polar Surface Area: 74 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 402.0±3.0 cm3

Click to predict properties on the Chemicalize site


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