ChemSpider 2D Image | (3S)-3-[4-(4-Bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline | C18H16BrN3

(3S)-3-[4-(4-Bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC18H16BrN3
  • Average mass354.244 Da
  • Monoisotopic mass353.052765 Da
  • ChemSpider ID25058693

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-[4-(4-Bromophényl)-1H-imidazol-2-yl]-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
(3S)-3-[4-(4-Bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
(3S)-3-[4-(4-Bromphenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
Isoquinoline, 3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydro-, (3S)- [ACD/Index Name]
JZJ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 604.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.2±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 91.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 1.45
ACD/KOC (pH 5.5): 7.77
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 77.73
ACD/KOC (pH 7.4): 415.84
Polar Surface Area: 41 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 249.5±3.0 cm3

Click to predict properties on the Chemicalize site


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