ChemSpider 2D Image | N-{[4-({5-[(4-Amino-1-piperidinyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide | C27H27F2N7O3

N-{[4-({5-[(4-Amino-1-piperidinyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide

  • Molecular FormulaC27H27F2N7O3
  • Average mass535.545 Da
  • Monoisotopic mass535.214355 Da
  • ChemSpider ID19889452

More details:






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

Benzeneacetamide, N-[[[4-[[5-[(4-amino-1-piperidinyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy]-3-fluorophenyl]amino]carbonyl]-4-fluoro- [ACD/Index Name]
N-{[4-({5-[(4-Amino-1-piperidinyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide [ACD/IUPAC Name]
N-{[4-({5-[(4-Amino-1-pipéridinyl)méthyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophényl]carbamoyl}-2-(4-fluorophényl)acétamide [French] [ACD/IUPAC Name]
N-{[4-({5-[(4-Amino-1-piperidinyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorphenyl]carbamoyl}-2-(4-fluorphenyl)acetamid [German] [ACD/IUPAC Name]
N-{[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide
1-(4-(5-((4-aminopiperidin-1-yl)methyl)pyrrolo[1,2-f][1,2,4]triazin-4-yloxy)-3-fluorophenyl)-3-(2-(4-fluorophenyl)acetyl)urea
CHEMBL253881

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.680
Molar Refractivity: 139.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.17
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.57
Polar Surface Area: 127 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 368.0±7.0 cm3

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