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Search term: ZBRBBDJXHBEGHX-QAQDUYKDSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{trans-3-[5-(5-Ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-pyridinecarboxamide | C25H23FN6O2

N-{trans-3-[5-(5-Ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-pyridinecarboxamide

  • Molecular FormulaC25H23FN6O2
  • Average mass458.487 Da
  • Monoisotopic mass458.186646 Da
  • ChemSpider ID115010324

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyridinecarboxamide, N-[trans-3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]cyclobutyl]- [ACD/Index Name]
N-{trans-3-[5-(5-Ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-pyridinecarboxamide [ACD/IUPAC Name]
N-{trans-3-[5-(5-Éthoxy-2-pyridinyl)-4-(2-fluorophényl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
N-{trans-3-[5-(5-Ethoxy-2-pyridinyl)-4-(2-fluorphenyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-pyridincarboxamid [German] [ACD/IUPAC Name]
OM-1700

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 126.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 202.71
ACD/KOC (pH 5.5): 1557.73
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 203.33
ACD/KOC (pH 7.4): 1562.47
Polar Surface Area: 95 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 332.2±7.0 cm3

Click to predict properties on the Chemicalize site


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