ChemSpider 2D Image | 4-Chloro-2-(1-hydroxybutyl)-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazole-5-carbaldehyde | C22H21ClN6O2

4-Chloro-2-(1-hydroxybutyl)-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazole-5-carbaldehyde

  • Molecular FormulaC22H21ClN6O2
  • Average mass436.894 Da
  • Monoisotopic mass436.141449 Da
  • ChemSpider ID127428222

More details:

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

1H-Imidazole-5-carboxaldehyde, 4-chloro-2-(1-hydroxybutyl)-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- [ACD/Index Name]
4-Chlor-2-(1-hydroxybutyl)-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazol-5-carbaldehyd [German] [ACD/IUPAC Name]
4-Chloro-2-(1-hydroxybutyl)-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazole-5-carbaldehyde [ACD/IUPAC Name]
4-Chloro-2-(1-hydroxybutyl)-1-{[2'-(1H-tétrazol-5-yl)-4-biphénylyl]méthyl}-1H-imidazole-5-carbaldéhyde [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4525753/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 695.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 374.3±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 119.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 7.67
ACD/KOC (pH 5.5): 65.29
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 12.78
Polar Surface Area: 110 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 309.8±7.0 cm3

Click to predict properties on the Chemicalize site


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