ChemSpider 2D Image | 5-Methyl-4-[(2-methyl-5-{[2-(4-morpholinyl)isonicotinoyl]amino}phenyl)amino]-N-(1-phenylvinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide | C33H32N8O3

5-Methyl-4-[(2-methyl-5-{[2-(4-morpholinyl)isonicotinoyl]amino}phenyl)amino]-N-(1-phenylvinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

  • Molecular FormulaC33H32N8O3
  • Average mass588.659 Da
  • Monoisotopic mass588.259766 Da
  • ChemSpider ID22377924

More details:






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

5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
5-Methyl-4-[(2-methyl-5-{[2-(4-morpholinyl)isonicotinoyl]amino}phenyl)amino]-N-(1-phenylvinyl)pyrrolo[2,1-f][1,2,4]triazin-6-carboxamid [German] [ACD/IUPAC Name]
5-Methyl-4-[(2-methyl-5-{[2-(4-morpholinyl)isonicotinoyl]amino}phenyl)amino]-N-(1-phenylvinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide [ACD/IUPAC Name]
5-Méthyl-4-[(2-méthyl-5-{[2-(4-morpholinyl)isonicotinoyl]amino}phényl)amino]-N-(1-phénylvinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide [French] [ACD/IUPAC Name]
Pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, 5-methyl-4-[[2-methyl-5-[[[2-(4-morpholinyl)-4-pyridinyl]carbonyl]amino]phenyl]amino]-N-(1-phenylethenyl)- [ACD/Index Name]

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: 1.690
Molar Refractivity: 168.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 136.90
ACD/KOC (pH 5.5): 1171.10
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.96
ACD/KOC (pH 7.4): 1188.72
Polar Surface Area: 126 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 439.9±7.0 cm3

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