ChemSpider 2D Image | N-(Mesitylcarbonyl)-4-(4-{[(4-methyl-2-pyridinyl)amino]methyl}-1H-1,2,3-triazol-1-yl)-L-phenylalanine | C28H30N6O3

N-(Mesitylcarbonyl)-4-(4-{[(4-methyl-2-pyridinyl)amino]methyl}-1H-1,2,3-triazol-1-yl)-L-phenylalanine

  • Molecular FormulaC28H30N6O3
  • Average mass498.576 Da
  • Monoisotopic mass498.237946 Da
  • ChemSpider ID24648427
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

L-Phenylalanine, 4-[4-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-1,2,3-triazol-1-yl]-N-(2,4,6-trimethylbenzoyl)- [ACD/Index Name]
N-(Mesitylcarbonyl)-4-(4-{[(4-methyl-2-pyridinyl)amino]methyl}-1H-1,2,3-triazol-1-yl)-L-phenylalanin [German] [ACD/IUPAC Name]
N-(Mesitylcarbonyl)-4-(4-{[(4-methyl-2-pyridinyl)amino]methyl}-1H-1,2,3-triazol-1-yl)-L-phenylalanine [ACD/IUPAC Name]
N-(Mésitylcarbonyl)-4-(4-{[(4-méthyl-2-pyridinyl)amino]méthyl}-1H-1,2,3-triazol-1-yl)-L-phénylalanine [French] [ACD/IUPAC Name]
(S)-3-(4-(4-((4-methylpyridin-2-ylamino)methyl)-1H-1,2,3-triazol-1-yl)phenyl)-2-(2,4,6-trimethylbenzamido)propanoic acid
10.1016/j.bmcl.2009.10.073

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 142.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 2.88
ACD/KOC (pH 5.5): 15.17
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.43
Polar Surface Area: 122 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 391.4±7.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form