ChemSpider 2D Image | (1R,3S)-6,7-Dimethoxy-1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline | C26H24N2O2S

(1R,3S)-6,7-Dimethoxy-1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC26H24N2O2S
  • Average mass428.546 Da
  • Monoisotopic mass428.155853 Da
  • ChemSpider ID30657042

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3S)-6,7-Dimethoxy-1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
(1R,3S)-6,7-Diméthoxy-1-phényl-3-(4-phényl-1,3-thiazol-2-yl)-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
(1R,3S)-6,7-Dimethoxy-1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-phenyl-3-(4-phenyl-2-thiazolyl)-, (1R,3S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 318.9±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 125.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 480.94
ACD/KOC (pH 5.5): 1805.96
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2397.37
ACD/KOC (pH 7.4): 9002.28
Polar Surface Area: 72 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 356.7±3.0 cm3

Click to predict properties on the Chemicalize site


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