Found 1 result

Search term: SXHXFOOINNUEPW-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [1-(3-{[4-({5-[(3-Fluorobenzyl)sulfanyl]-1,3-thiazol-2-yl}amino)-6-methoxy-7-quinazolinyl]oxy}propyl)-4-piperidinyl]methanol | C28H32FN5O3S2

[1-(3-{[4-({5-[(3-Fluorobenzyl)sulfanyl]-1,3-thiazol-2-yl}amino)-6-methoxy-7-quinazolinyl]oxy}propyl)-4-piperidinyl]methanol

  • Molecular FormulaC28H32FN5O3S2
  • Average mass569.714 Da
  • Monoisotopic mass569.193054 Da
  • ChemSpider ID9838905

More details:

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

[1-(3-{[4-({5-[(3-Fluorbenzyl)sulfanyl]-1,3-thiazol-2-yl}amino)-6-methoxy-7-chinazolinyl]oxy}propyl)-4-piperidinyl]methanol [German] [ACD/IUPAC Name]
[1-(3-{[4-({5-[(3-Fluorobenzyl)sulfanyl]-1,3-thiazol-2-yl}amino)-6-methoxy-7-quinazolinyl]oxy}propyl)-4-piperidinyl]methanol [ACD/IUPAC Name]
[1-(3-{[4-({5-[(3-Fluorobenzyl)sulfanyl]-1,3-thiazol-2-yl}amino)-6-méthoxy-7-quinazolinyl]oxy}propyl)-4-pipéridinyl]méthanol [French] [ACD/IUPAC Name]
[1-(3-{[4-({5-[(3-fluorobenzyl)sulfanyl]-1,3-thiazol-2-yl}amino)-6-methoxyquinazolin-7-yl]oxy}propyl)piperidin-4-yl]methanol
4-Piperidinemethanol, 1-[3-[[4-[[5-[[(3-fluorophenyl)methyl]thio]-2-thiazolyl]amino]-6-methoxy-7-quinazolinyl]oxy]propyl]- [ACD/Index Name]
[1-(3-{[4-({5-[(3-fluorobenzyl)thio]-1,3-thiazol-2-yl}amino)-6-methoxyquinazolin-7-yl]oxy}propyl)piperidin-4-yl]methanol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 746.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 405.3±35.7 °C
Index of Refraction: 1.675
Molar Refractivity: 154.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.11
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 32.91
ACD/KOC (pH 7.4): 167.50
Polar Surface Area: 146 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 72.9±5.0 dyne/cm
Molar Volume: 412.0±5.0 cm3

Click to predict properties on the Chemicalize site


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