ChemSpider 2D Image | 7-{3-[4-(Isopropylcarbamoyl)-3-methoxy-2-propylphenoxy]propoxy}-8-propyl-2-chromanecarboxylic acid | C30H41NO7

7-{3-[4-(Isopropylcarbamoyl)-3-methoxy-2-propylphenoxy]propoxy}-8-propyl-2-chromanecarboxylic acid

  • Molecular FormulaC30H41NO7
  • Average mass527.649 Da
  • Monoisotopic mass527.288330 Da
  • ChemSpider ID23236872

More details:

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

2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-7-[3-[3-methoxy-4-[[(1-methylethyl)amino]carbonyl]-2-propylphenoxy]propoxy]-8-propyl- [ACD/Index Name]
7-{3-[3-methoxy-4-(propan-2-ylcarbamoyl)-2-propylphenoxy]propoxy}-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid
7-{3-[4-(Isopropylcarbamoyl)-3-methoxy-2-propylphenoxy]propoxy}-8-propyl-2-chromancarbonsäure [German] [ACD/IUPAC Name]
7-{3-[4-(Isopropylcarbamoyl)-3-methoxy-2-propylphenoxy]propoxy}-8-propyl-2-chromanecarboxylic acid [ACD/IUPAC Name]
Acide 7-{3-[4-(isopropylcarbamoyl)-3-méthoxy-2-propylphénoxy]propoxy}-8-propyl-2-chromanecarboxylique [French] [ACD/IUPAC Name]
7-[3-(4-Isopropylcarbamoyl-3-methoxy-2-propyl-phenoxy)-propoxy]-8-propyl-chroman-2-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL422388/
SC-52073

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

Density: 1.1±0.1 g/cm3
Boiling Point: 660.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.1±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 146.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 30.94
ACD/KOC (pH 5.5): 87.42
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 4.51
Polar Surface Area: 103 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 461.4±3.0 cm3

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