ChemSpider 2D Image | N-(3-Fluorophenyl)-2-{2-[(7-{3-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]propoxy}-6-methoxy-4-quinazolinyl)amino]-1,3-thiazol-5-yl}acetamide | C28H31FN6O4S

N-(3-Fluorophenyl)-2-{2-[(7-{3-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]propoxy}-6-methoxy-4-quinazolinyl)amino]-1,3-thiazol-5-yl}acetamide

  • Molecular FormulaC28H31FN6O4S
  • Average mass566.647 Da
  • Monoisotopic mass566.211182 Da
  • ChemSpider ID9701789

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-Thiazoleacetamide, N-(3-fluorophenyl)-2-[[7-[3-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]propoxy]-6-methoxy-4-quinazolinyl]amino]- [ACD/Index Name]
N-(3-Fluorophenyl)-2-{2-[(7-{3-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]propoxy}-6-methoxy-4-quinazolinyl)amino]-1,3-thiazol-5-yl}acetamide [ACD/IUPAC Name]
N-(3-Fluorophényl)-2-{2-[(7-{3-[(2S)-2-(hydroxyméthyl)-1-pyrrolidinyl]propoxy}-6-méthoxy-4-quinazolinyl)amino]-1,3-thiazol-5-yl}acétamide [French] [ACD/IUPAC Name]
N-(3-Fluorphenyl)-2-{2-[(7-{3-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]propoxy}-6-methoxy-4-chinazolinyl)amino]-1,3-thiazol-5-yl}acetamid [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL380478/
N-(3-fluorophenyl)-2-{2-[(7-{3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1,3-thiazol-5-yl}acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.669
Molar Refractivity: 153.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.72
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 1.74
ACD/KOC (pH 7.4): 14.45
Polar Surface Area: 150 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 412.1±3.0 cm3

Click to predict properties on the Chemicalize site


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