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Search term: Cc1cc(cc(c1c2cccc(c2)COc3ccc4c(c3)OCC4CC(=O)O)C)OCCCS(=O)(=O)C (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | Fasiglifam | C29H32O7S

Fasiglifam

  • Molecular FormulaC29H32O7S
  • Average mass524.625 Da
  • Monoisotopic mass524.186890 Da
  • ChemSpider ID28640590

More details:

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

[6-({2',6'-Dimethyl-4'-[3-(methylsulfonyl)propoxy]-3-biphenylyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid [ACD/IUPAC Name]
[6-({2',6'-Dimethyl-4'-[3-(methylsulfonyl)propoxy]-3-biphenylyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]essigsäure [German] [ACD/IUPAC Name]
3-Benzofuranacetic acid, 6-[[2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl]methoxy]-2,3-dihydro- [ACD/Index Name]
Acide [6-({2',6'-diméthyl-4'-[3-(méthylsulfonyl)propoxy]-3-biphénylyl}méthoxy)-2,3-dihydro-1-benzofuran-3-yl]acétique [French] [ACD/IUPAC Name]
Fasiglifam [BAN] [INN] [USAN]
TAK-875
(6-{[4'-(3-methanesulfonylpropoxy)-2',6'-dimethyl-[1,1'-biphenyl]-3-yl]methoxy}-2,3-dihydro-1-benzofuran-3-yl)acetic acid
(R)-2-(6-((2',6'-dimethyl-4'-(3-(methylsulfonyl)propoxy)-[1,1'-biphenyl]-3-yl)methoxy)-2,3-dihydrobenzofuran-3-yl)acetic acid
[6-({3-[4-(3-METHANESULFONYLPROPOXY)-2,6-DIMETHYLPHENYL]PHENYL}METHOXY)-2,3-DIHYDRO-1-BENZOFURAN-3-YL]ACETIC ACID
1390641-84-5 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 739.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 400.8±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 140.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 74.57
ACD/KOC (pH 5.5): 354.63
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 1.20
ACD/KOC (pH 7.4): 5.70
Polar Surface Area: 108 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 418.9±3.0 cm3

Click to predict properties on the Chemicalize site


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