ChemSpider 2D Image | (2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(~2~H_3_)methyloxy]-6-quinazolinyl}-4-(1-piperidinyl)-2-butenamide | C24H22D3ClFN5O2

(2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(2H3)methyloxy]-6-quinazolinyl}-4-(1-piperidinyl)-2-butenamide

  • Molecular FormulaC24H22D3ClFN5O2
  • Average mass472.957 Da
  • Monoisotopic mass472.186920 Da
  • ChemSpider ID34559659

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-N-{4-[(3-Chlor-4-fluorphenyl)amino]-7-[(2H3)methyloxy]-6-chinazolinyl}-4-(1-piperidinyl)-2-butenamid [German] [ACD/IUPAC Name]
(2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(2H3)methyloxy]-6-quinazolinyl}-4-(1-piperidinyl)-2-butenamide [ACD/IUPAC Name]
(2E)-N-{4-[(3-Chloro-4-fluorophényl)amino]-7-[(2H3)méthyloxy]-6-quinazolinyl}-4-(1-pipéridinyl)-2-buténamide [French] [ACD/IUPAC Name]
2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-(methyl-d3-oxy)-6-quinazolinyl]-4-(1-piperidinyl)-, (2E)- [ACD/Index Name]
Dacomitinib-d3
Dacomitinib-d3

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

Density: 1.3±0.1 g/cm3
Boiling Point: 665.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.4±31.5 °C
Index of Refraction: 1.663
Molar Refractivity: 129.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 7.86
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 137.05
ACD/KOC (pH 7.4): 674.77
Polar Surface Area: 79 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 349.5±3.0 cm3

Click to predict properties on the Chemicalize site


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