ChemSpider 2D Image | AZD-4818 | C27H32Cl2N2O7

AZD-4818

  • Molecular FormulaC27H32Cl2N2O7
  • Average mass567.458 Da
  • Monoisotopic mass566.158630 Da
  • ChemSpider ID32700996

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1003566-93-5 [RN]
2-{2-Chlor-5-[(2S)-3-(5-chlor-1'H,3H-spiro[1-benzofuran-2,4'-piperidin]-1'-yl)-2-hydroxypropoxy]-4-(methylcarbamoyl)phenoxy}-2-methylpropansäure [German] [ACD/IUPAC Name]
2-{2-Chloro-5-[(2S)-3-(5-chloro-1'H,3H-spiro[1-benzofuran-2,4'-piperidin]-1'-yl)-2-hydroxypropoxy]-4-(methylcarbamoyl)phenoxy}-2-methylpropanoic acid [ACD/IUPAC Name]
2-{2-chloro-5-[(2S)-3-{5-chloro-3H-spiro[1-benzofuran-2,4'-piperidin]-1'-yl}-2-hydroxypropoxy]-4-(methylcarbamoyl)phenoxy}-2-methylpropanoic acid
Acide 2-{2-chloro-5-[(2S)-3-(5-chloro-1'H,3H-spiro[1-benzofuran-2,4'-piperidin]-1'-yl)-2-hydroxypropoxy]-4-(méthylcarbamoyl)phénoxy}-2-méthylpropanoïque [French] [ACD/IUPAC Name]
AZD-4818
Propanoic acid, 2-[2-chloro-5-[(2S)-3-(5-chlorospiro[benzofuran-2(3H),4'-piperidin]-1'-yl)-2-hydroxypropoxy]-4-[(methylamino)carbonyl]phenoxy]-2-methyl- [ACD/Index Name]
S5UP6P540K
2-(2-Chloro-5-(((2S)-3-(5-chloro-2,3-dihydrospiro(benzofuran-2,4'-piperidin)-1'-yl)-2-hydroxypropyl)oxy)-4-((methylamino)carbonyl)phenoxy)-2-methylpropanoic acid
2-[2-chloro-5-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-(methylcarbamoyl)phenoxy]-2-methylpropanoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 745.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 404.7±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 142.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 3.45
ACD/KOC (pH 5.5): 16.44
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 3.05
ACD/KOC (pH 7.4): 14.51
Polar Surface Area: 118 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 398.5±5.0 cm3

Click to predict properties on the Chemicalize site


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