ChemSpider 2D Image | 5-{2-[(1Z)-5-Fluoro-1-(4-isopropylbenzylidene)-2-methyl-1H-inden-3-yl]ethyl}-1H-tetrazole | C23H23FN4

5-{2-[(1Z)-5-Fluoro-1-(4-isopropylbenzylidene)-2-methyl-1H-inden-3-yl]ethyl}-1H-tetrazole

  • Molecular FormulaC23H23FN4
  • Average mass374.454 Da
  • Monoisotopic mass374.190674 Da
  • ChemSpider ID35033945

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Tetrazole, 5-[2-[(1Z)-5-fluoro-2-methyl-1-[[4-(1-methylethyl)phenyl]methylene]-1H-inden-3-yl]ethyl]- [ACD/Index Name]
5-(2-{(1z)-5-Fluoro-2-Methyl-1-[4-(Propan-2-Yl)benzylidene]-1h-Inden-3-Yl}ethyl)-1h-Tetrazole
5-{2-[(1Z)-5-Fluor-1-(4-isopropylbenzyliden)-2-methyl-1H-inden-3-yl]ethyl}-1H-tetrazol [German] [ACD/IUPAC Name]
5-{2-[(1Z)-5-Fluoro-1-(4-isopropylbenzylidene)-2-methyl-1H-inden-3-yl]ethyl}-1H-tetrazole [ACD/IUPAC Name]
5-{2-[(1Z)-5-Fluoro-1-(4-isopropylbenzylidène)-2-méthyl-1H-indén-3-yl]éthyl}-1H-tétrazole [French] [ACD/IUPAC Name]
1346513-17-4 [RN]
5-[2-[(3Z)-6-fluoro-2-methyl-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]ethyl]-2H-tetrazole
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4520775/
K09
K-8012

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

Density: 1.2±0.1 g/cm3
Boiling Point: 549.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 286.1±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 110.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 1982.92
ACD/KOC (pH 5.5): 5220.23
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 118.50
ACD/KOC (pH 7.4): 311.95
Polar Surface Area: 54 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 306.1±3.0 cm3

Click to predict properties on the Chemicalize site


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