ChemSpider 2D Image | AZD3759 | C22H23ClFN5O3


  • Molecular FormulaC22H23ClFN5O3
  • Average mass459.901 Da
  • Monoisotopic mass459.147339 Da
  • ChemSpider ID38772332
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2,4-Diméthyl-1-pipérazinecarboxylate de 4-[(3-chloro-2-fluorophényl)amino]-7-méthoxy-6-quinazolinyle [French] [ACD/IUPAC Name]
1626387-80-1 [RN]
1-Piperazinecarboxylic acid, 2,4-dimethyl-, 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl ester, (2R)- [ACD/Index Name]
4-[(3-Chlor-2-fluorphenyl)amino]-7-methoxy-6-chinazolinyl-(2R)-2,4-dimethyl-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl (2R)-2,4-dimethyl-1-piperazinecarboxylate [ACD/IUPAC Name]
AZD 3759
(2R)-2,4-dimethyl-1-piperazinecarboxylic acid, 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl ester
(R)-4-((3-chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl 2,4-dimethylpiperazine-1-carboxylate
(R)-4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl 2,4-dimethylpiperazine-1-carboxylate

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

67SX9H68W2 [DBID]
PubChem Substance ID 24891849 [DBID]
PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2563
      H303;H313;H317;H333;H334;H335;H383 Axon Medchem 2563
      no pictogram Axon Medchem 2563
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P350 Axon Medchem 2563
      Warning Axon Medchem 2563
    • Bio Activity:

      AZD3759 is a potent, oral active, central nervous system-penetrant, EGFR inhibitor. MedChem Express HY-18750
      EGFR MedChem Express HY-18750
      JAK/STAT Signaling MedChem Express HY-18750
      JAK/STAT Signaling; Protein Tyrosine Kinase/RTK; MedChem Express HY-18750

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

Density: 1.4±0.1 g/cm3
Boiling Point: 571.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.3±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 120.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 31.55
ACD/KOC (pH 5.5): 165.19
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 653.75
ACD/KOC (pH 7.4): 3422.45
Polar Surface Area: 80 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 338.5±3.0 cm3

Click to predict properties on the Chemicalize site