ChemSpider 2D Image | N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(7-methyl-7-azaspiro[3.5]non-2-yl)methoxy]-6-quinazolinyl}acrylamide | C27H29ClFN5O2

N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(7-methyl-7-azaspiro[3.5]non-2-yl)methoxy]-6-quinazolinyl}acrylamide

  • Molecular FormulaC27H29ClFN5O2
  • Average mass510.003 Da
  • Monoisotopic mass509.199371 Da
  • ChemSpider ID58810202

More details:

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

2-Propenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[(7-methyl-7-azaspiro[3.5]non-2-yl)methoxy]-6-quinazolinyl]- [ACD/Index Name]
N-{4-[(3-Chlor-4-fluorphenyl)amino]-7-[(7-methyl-7-azaspiro[3.5]non-2-yl)methoxy]-6-chinazolinyl}acrylamid [German] [ACD/IUPAC Name]
N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(7-methyl-7-azaspiro[3.5]non-2-yl)methoxy]-6-quinazolinyl}acrylamide [ACD/IUPAC Name]
N-{4-[(3-Chloro-4-fluorophényl)amino]-7-[(7-méthyl-7-azaspiro[3.5]non-2-yl)méthoxy]-6-quinazolinyl}acrylamide [French] [ACD/IUPAC Name]
1363358-86-4 [RN]
N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((7-methyl-7-azaspiro[3.5]nonan-2-yl)methoxy)quinazolin-6-yl)acrylamide
pirotinib
Unii-M8R6η52F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 682.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.2±31.5 °C
Index of Refraction: 1.653
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 1.35
ACD/KOC (pH 5.5): 5.01
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 7.83
ACD/KOC (pH 7.4): 29.04
Polar Surface Area: 79 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 378.0±5.0 cm3

Click to predict properties on the Chemicalize site


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