ChemSpider 2D Image | 7-{3-[3-Methoxy-4-(1-piperazinylmethyl)phenoxy]-1-propyn-1-yl}isoquinoline | C24H25N3O2

7-{3-[3-Methoxy-4-(1-piperazinylmethyl)phenoxy]-1-propyn-1-yl}isoquinoline

  • Molecular FormulaC24H25N3O2
  • Average mass387.474 Da
  • Monoisotopic mass387.194672 Da
  • ChemSpider ID58127533

More details:

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

7-{3-[3-Methoxy-4-(1-piperazinylmethyl)phenoxy]-1-propin-1-yl}isochinolin [German] [ACD/IUPAC Name]
7-{3-[3-Méthoxy-4-(1-pipérazinylméthyl)phénoxy]-1-propyn-1-yl}isoquinoléine [French] [ACD/IUPAC Name]
7-{3-[3-Methoxy-4-(1-piperazinylmethyl)phenoxy]-1-propyn-1-yl}isoquinoline [ACD/IUPAC Name]
Isoquinoline, 7-[3-[3-methoxy-4-(1-piperazinylmethyl)phenoxy]-1-propyn-1-yl]- [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: 592.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.2±30.1 °C
Index of Refraction: 1.659
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.46
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 10.40
ACD/KOC (pH 7.4): 65.01
Polar Surface Area: 47 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 313.0±5.0 cm3

Click to predict properties on the Chemicalize site


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