ChemSpider 2D Image | 3-(1H-Imidazol-1-yl)-N-(4-pyridinylmethyl)-N-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-1-propanamine | C20H22N6S

3-(1H-Imidazol-1-yl)-N-(4-pyridinylmethyl)-N-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-1-propanamine

  • Molecular FormulaC20H22N6S
  • Average mass378.494 Da
  • Monoisotopic mass378.162659 Da
  • ChemSpider ID29661425

More details:

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

3-(1H-Imidazol-1-yl)-N-(4-pyridinylmethyl)-N-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-1-propanamin [German] [ACD/IUPAC Name]
3-(1H-Imidazol-1-yl)-N-(4-pyridinylmethyl)-N-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-1-propanamine [ACD/IUPAC Name]
3-(1H-Imidazol-1-yl)-N-(4-pyridinylméthyl)-N-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]méthyl}-1-propanamine [French] [ACD/IUPAC Name]
4-Pyridinemethanamine, N-[3-(1H-imidazol-1-yl)propyl]-N-[[1-(2-thiazolyl)-1H-pyrrol-2-yl]methyl]- [ACD/Index Name]
3-(1H-imidazol-1-yl)-N-(pyridin-4-ylmethyl)-N-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}propan-1-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 610.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.7±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 113.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.14
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 25.71
ACD/KOC (pH 7.4): 320.71
Polar Surface Area: 80 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 301.4±7.0 cm3

Click to predict properties on the Chemicalize site


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