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Search term: AUBFUJKOXVNDOA-MEDUHNTESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-Fluoro-2-(4-{[(3S,4R)-4-(hydroxymethyl)-3-pyrrolidinyl]amino}-6,7-dimethoxy-2-quinazolinyl)phenol | C21H23FN4O4

4-Fluoro-2-(4-{[(3S,4R)-4-(hydroxymethyl)-3-pyrrolidinyl]amino}-6,7-dimethoxy-2-quinazolinyl)phenol

  • Molecular FormulaC21H23FN4O4
  • Average mass414.430 Da
  • Monoisotopic mass414.170319 Da
  • ChemSpider ID26391236

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Pyrrolidinemethanol, 4-[[2-(5-fluoro-2-hydroxyphenyl)-6,7-dimethoxy-4-quinazolinyl]amino]-, (3R,4S)- [ACD/Index Name]
4-Fluor-2-(4-{[(3S,4R)-4-(hydroxymethyl)-3-pyrrolidinyl]amino}-6,7-dimethoxy-2-chinazolinyl)phenol [German] [ACD/IUPAC Name]
4-Fluoro-2-(4-{[(3S,4R)-4-(hydroxymethyl)-3-pyrrolidinyl]amino}-6,7-dimethoxy-2-quinazolinyl)phenol [ACD/IUPAC Name]
4-Fluoro-2-(4-{[(3S,4R)-4-(hydroxyméthyl)-3-pyrrolidinyl]amino}-6,7-diméthoxy-2-quinazolinyl)phénol [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 562.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 293.8±30.1 °C
Index of Refraction: 1.650
Molar Refractivity: 111.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.14
Polar Surface Area: 109 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 304.8±3.0 cm3

Click to predict properties on the Chemicalize site


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