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ChemSpider 2D Image | PYROTINIB | C32H31ClN6O3

PYROTINIB

  • Molecular FormulaC32H31ClN6O3
  • Average mass583.080 Da
  • Monoisotopic mass582.214600 Da
  • ChemSpider ID52083721
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2E)-N-(4-{[3-Chlor-4-(2-pyridinylmethoxy)phenyl]amino}-3-cyan-7-ethoxy-6-chinolinyl)-3-[(2R)-1-methyl-2-pyrrolidinyl]acrylamid [German] [ACD/IUPAC Name]
(2E)-N-(4-{[3-Chloro-4-(2-pyridinylméthoxy)phényl]amino}-3-cyano-7-éthoxy-6-quinoléinyl)-3-[(2R)-1-méthyl-2-pyrrolidinyl]acrylamide [French] [ACD/IUPAC Name]
(2E)-N-(4-{[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino}-3-cyano-7-ethoxy-6-quinolinyl)-3-[(2R)-1-methyl-2-pyrrolidinyl]acrylamide [ACD/IUPAC Name]
2-Propenamide, N-[4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-3-[(2R)-1-methyl-2-pyrrolidinyl]-, (2E)- [ACD/Index Name]
PYROTINIB
1269662-73-8 [RN]
SHR-1258
UNII:CJN36EQM0H

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

Density: 1.4±0.1 g/cm3
Boiling Point: 775.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 422.8±32.9 °C
Index of Refraction: 1.677
Molar Refractivity: 162.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 2.22
ACD/KOC (pH 5.5): 8.64
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 49.64
ACD/KOC (pH 7.4): 193.21
Polar Surface Area: 112 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 430.7±5.0 cm3

Click to predict properties on the Chemicalize site






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