ChemSpider 2D Image | 4-Ethyl-N-{4-[(3-ethynylphenyl)amino]-7-methoxy-6-quinazolinyl}-1-piperazinecarboxamide | C24H26N6O2

4-Ethyl-N-{4-[(3-ethynylphenyl)amino]-7-methoxy-6-quinazolinyl}-1-piperazinecarboxamide

  • Molecular FormulaC24H26N6O2
  • Average mass430.502 Da
  • Monoisotopic mass430.211731 Da
  • ChemSpider ID107561648

More details:






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

1-Piperazinecarboxamide, 4-ethyl-N-[4-[(3-ethynylphenyl)amino]-7-methoxy-6-quinazolinyl]- [ACD/Index Name]
4-Ethyl-N-{4-[(3-ethynylphenyl)amino]-7-methoxy-6-quinazolinyl}-1-piperazinecarboxamide [ACD/IUPAC Name]
4-Éthyl-N-{4-[(3-éthynylphényl)amino]-7-méthoxy-6-quinazolinyl}-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
N-{4-[(3-Ethinylphenyl)amino]-7-methoxy-6-chinazolinyl}-4-ethyl-1-piperazincarboxamid [German] [ACD/IUPAC Name]
1203902-67-3 [RN]
Unii-WZ97ZE4uug

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

Density: 1.3±0.1 g/cm3
Boiling Point: 660.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.1±31.5 °C
Index of Refraction: 1.678
Molar Refractivity: 123.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 1.43
ACD/KOC (pH 5.5): 13.72
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 69.23
ACD/KOC (pH 7.4): 664.89
Polar Surface Area: 83 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 327.7±5.0 cm3

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