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Search term: CEIUCQDRCUESRY-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 1-Naphthyl[3-{[4-(1H-1,2,4-triazol-1-yl)phenoxy]methyl}-3,4-dihydro-2(1H)-isoquinolinyl]methanone | C29H24N4O2

1-Naphthyl[3-{[4-(1H-1,2,4-triazol-1-yl)phenoxy]methyl}-3,4-dihydro-2(1H)-isoquinolinyl]methanone

  • Molecular FormulaC29H24N4O2
  • Average mass460.526 Da
  • Monoisotopic mass460.189911 Da
  • ChemSpider ID28508995

More details:






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

1-Naphthyl[3-{[4-(1H-1,2,4-triazol-1-yl)phenoxy]methyl}-3,4-dihydro-2(1H)-isochinolinyl]methanon [German] [ACD/IUPAC Name]
1-Naphthyl[3-{[4-(1H-1,2,4-triazol-1-yl)phenoxy]methyl}-3,4-dihydro-2(1H)-isoquinolinyl]methanone [ACD/IUPAC Name]
1-Naphtyl[3-{[4-(1H-1,2,4-triazol-1-yl)phénoxy]méthyl}-3,4-dihydro-2(1H)-isoquinoléinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [3,4-dihydro-3-[[4-(1H-1,2,4-triazol-1-yl)phenoxy]methyl]-2(1H)-isoquinolinyl]-1-naphthalenyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 713.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.1±35.7 °C
Index of Refraction: 1.681
Molar Refractivity: 137.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4711.94
ACD/KOC (pH 5.5): 14812.65
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4720.88
ACD/KOC (pH 7.4): 14840.73
Polar Surface Area: 60 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 362.6±7.0 cm3

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