ChemSpider 2D Image | 1-Cyclohexyl-2-[3-(1H-imidazol-4-yl)propyl]-3-[4-phenyl-4-(2-pyridinyl)butyl]guanidine | C28H38N6

1-Cyclohexyl-2-[3-(1H-imidazol-4-yl)propyl]-3-[4-phenyl-4-(2-pyridinyl)butyl]guanidine

  • Molecular FormulaC28H38N6
  • Average mass458.642 Da
  • Monoisotopic mass458.315796 Da
  • ChemSpider ID23156220

More details:

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

1-Cyclohexyl-2-[3-(1H-imidazol-4-yl)propyl]-3-[4-phenyl-4-(2-pyridinyl)butyl]guanidin [German] [ACD/IUPAC Name]
1-Cyclohexyl-2-[3-(1H-imidazol-4-yl)propyl]-3-[4-phenyl-4-(2-pyridinyl)butyl]guanidine [ACD/IUPAC Name]
1-Cyclohexyl-2-[3-(1H-imidazol-4-yl)propyl]-3-[4-phényl-4-(2-pyridinyl)butyl]guanidine [French] [ACD/IUPAC Name]
1-cyclohexyl-3-[3-(1H-imidazol-4-yl)propyl]-2-[4-phenyl-4-(pyridin-2-yl)butyl]guanidine
Guanidine, N-cyclohexyl-N'-[3-(1H-imidazol-4-yl)propyl]-N''-[4-phenyl-4-(2-pyridinyl)butyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL304657/
N-Cyclohexyl-N'-[3-(1H-imidazol-4-yl)-propyl]-N''-(4-phenyl-4-pyridin-2-yl-butyl)-guanidine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 680.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.1±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 139.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.35
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 3.22
ACD/KOC (pH 7.4): 16.40
Polar Surface Area: 78 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 397.1±7.0 cm3

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