ChemSpider 2D Image | 5-Methyl-4-[(2-methyl-5-{[3-(4-morpholinyl)benzoyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide | C34H35N7O3

5-Methyl-4-[(2-methyl-5-{[3-(4-morpholinyl)benzoyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

  • Molecular FormulaC34H35N7O3
  • Average mass589.687 Da
  • Monoisotopic mass589.280151 Da
  • ChemSpider ID23316752

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
5-Methyl-4-[(2-methyl-5-{[3-(4-morpholinyl)benzoyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazin-6-carboxamid [German] [ACD/IUPAC Name]
5-Methyl-4-[(2-methyl-5-{[3-(4-morpholinyl)benzoyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide [ACD/IUPAC Name]
5-Méthyl-4-[(2-méthyl-5-{[3-(4-morpholinyl)benzoyl]amino}phényl)amino]-N-[(1S)-1-phényléthyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide [French] [ACD/IUPAC Name]
5-methyl-4-[(2-methyl-5-{[3-(morpholin-4-yl)benzoyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
Pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, 5-methyl-4-[[2-methyl-5-[[3-(4-morpholinyl)benzoyl]amino]phenyl]amino]-N-[(1S)-1-phenylethyl]- [ACD/Index Name]
(S)-5-methyl-4-(2-methyl-5-(3-morpholinobenzamido)phenylamino)-N-(1-phenylethyl)pyrrolo[1,2-f][1,2,4]triazine-6-carboxamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL408150/
P39

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.676
Molar Refractivity: 169.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 467.60
ACD/KOC (pH 5.5): 2817.94
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 477.98
ACD/KOC (pH 7.4): 2880.54
Polar Surface Area: 113 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 451.3±7.0 cm3

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