Found 81 results

Search term: MF = 'C_{18}H_{19}BrN_{4}S'
ChemSpider 2D Image | N-{[1-(5-Bromo-2-thienyl)cyclobutyl]methyl}-1-(1H-imidazol-2-yl)-1-(3-pyridinyl)methanamine | C18H19BrN4S

N-{[1-(5-Bromo-2-thienyl)cyclobutyl]methyl}-1-(1H-imidazol-2-yl)-1-(3-pyridinyl)methanamine

  • Molecular FormulaC18H19BrN4S
  • Average mass403.339 Da
  • Monoisotopic mass402.051361 Da
  • ChemSpider ID77458460

More details:

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

3-Pyridinemethanamine, N-[[1-(5-bromo-2-thienyl)cyclobutyl]methyl]-α-1H-imidazol-2-yl- [ACD/Index Name]
N-{[1-(5-Brom-2-thienyl)cyclobutyl]methyl}-1-(1H-imidazol-2-yl)-1-(3-pyridinyl)methanamin [German] [ACD/IUPAC Name]
N-{[1-(5-Bromo-2-thienyl)cyclobutyl]methyl}-1-(1H-imidazol-2-yl)-1-(3-pyridinyl)methanamine [ACD/IUPAC Name]
N-{[1-(5-Bromo-2-thiényl)cyclobutyl]méthyl}-1-(1H-imidazol-2-yl)-1-(3-pyridinyl)méthanamine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 612.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.0±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 101.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 2.82
ACD/KOC (pH 5.5): 21.55
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 102.08
ACD/KOC (pH 7.4): 778.78
Polar Surface Area: 82 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 275.0±3.0 cm3

Click to predict properties on the Chemicalize site


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