ChemSpider 2D Image | 4-{[(2,7-Dimethyl-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](2-propyn-1-yl)amino}-2-fluoro-N-(3-nitrobenzyl)benzamide | C28H24FN5O4

4-{[(2,7-Dimethyl-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](2-propyn-1-yl)amino}-2-fluoro-N-(3-nitrobenzyl)benzamide

  • Molecular FormulaC28H24FN5O4
  • Average mass513.520 Da
  • Monoisotopic mass513.181213 Da
  • ChemSpider ID8182230

More details:

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

4-{[(2,7-Dimethyl-4-oxo-1,4-dihydro-6-chinazolinyl)methyl](2-propin-1-yl)amino}-2-fluor-N-(3-nitrobenzyl)benzamid [German] [ACD/IUPAC Name]
4-{[(2,7-Dimethyl-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](2-propyn-1-yl)amino}-2-fluoro-N-(3-nitrobenzyl)benzamide [ACD/IUPAC Name]
4-{[(2,7-Diméthyl-4-oxo-1,4-dihydro-6-quinazolinyl)méthyl](2-propyn-1-yl)amino}-2-fluoro-N-(3-nitrobenzyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[(1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl]-2-propyn-1-ylamino]-2-fluoro-N-[(3-nitrophenyl)methyl]- [ACD/Index Name]
2-fluoro-4-{[(4-hydroxy-2,7-dimethylquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}-N-(3-nitrobenzyl)benzamide
4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-N-(3-nitro-benzyl)-benzamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL268453/

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: 1.636
Molar Refractivity: 141.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 450.58
ACD/KOC (pH 5.5): 2760.91
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 451.02
ACD/KOC (pH 7.4): 2763.61
Polar Surface Area: 120 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 393.7±7.0 cm3

Click to predict properties on the Chemicalize site


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