ChemSpider 2D Image | [(7-{[2-(3-Morpholin-4-Ylprop-1-Yn-1-Yl)-6-{[4-(Trifluoromethyl)phenyl]ethynyl}pyridin-4-Yl]thio}-2,3-Dihydro-1h-Inden-4-Yl)oxy]acetic Acid | C32H27F3N2O4S

[(7-{[2-(3-Morpholin-4-Ylprop-1-Yn-1-Yl)-6-{[4-(Trifluoromethyl)phenyl]ethynyl}pyridin-4-Yl]thio}-2,3-Dihydro-1h-Inden-4-Yl)oxy]acetic Acid

  • Molecular FormulaC32H27F3N2O4S
  • Average mass592.628 Da
  • Monoisotopic mass592.164368 Da
  • ChemSpider ID22376146

More details:

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

({7-[(2-[3-(4-Morpholinyl)-1-propin-1-yl]-6-{[4-(trifluormethyl)phenyl]ethinyl}-4-pyridinyl)sulfanyl]-2,3-dihydro-1H-inden-4-yl}oxy)essigsäure [German] [ACD/IUPAC Name]
({7-[(2-[3-(4-Morpholinyl)-1-propyn-1-yl]-6-{[4-(trifluoromethyl)phenyl]ethynyl}-4-pyridinyl)sulfanyl]-2,3-dihydro-1H-inden-4-yl}oxy)acetic acid [ACD/IUPAC Name]
({7-[(2-[3-(morpholin-4-yl)prop-1-yn-1-yl]-6-{[4-(trifluoromethyl)phenyl]ethynyl}pyridin-4-yl)sulfanyl]-2,3-dihydro-1H-inden-4-yl}oxy)acetic acid
[(7-{[2-(3-Morpholin-4-Ylprop-1-Yn-1-Yl)-6-{[4-(Trifluoromethyl)phenyl]ethynyl}pyridin-4-Yl]thio}-2,3-Dihydro-1h-Inden-4-Yl)oxy]acetic Acid
Acetic acid, 2-[[2,3-dihydro-7-[[2-[3-(4-morpholinyl)-1-propyn-1-yl]-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-4-pyridinyl]thio]-1H-inden-4-yl]oxy]- [ACD/Index Name]
Acide ({7-[(2-[3-(4-morpholinyl)-1-propyn-1-yl]-6-{[4-(trifluorométhyl)phényl]éthynyl}-4-pyridinyl)sulfanyl]-2,3-dihydro-1H-indén-4-yl}oxy)acétique [French] [ACD/IUPAC Name]
1FA
2-(7-(2-(3-morpholinoprop-1-ynyl)-6-(2-(4-(trifluoromethyl)phenyl)ethynyl)pyridin-4-ylthio)-2,3-dihydro-1H-inden-4-yloxy)acetic acid
CHEMBL400300

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

Density: 1.4±0.1 g/cm3
Boiling Point: 766.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 417.1±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 152.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.30
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 67.90
ACD/KOC (pH 5.5): 147.51
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 4.34
ACD/KOC (pH 7.4): 9.42
Polar Surface Area: 97 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 70.7±5.0 dyne/cm
Molar Volume: 413.2±5.0 cm3

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