ChemSpider 2D Image | 3-(4-{3-[4-(3,4-Dichlorophenyl)-3,6-dihydro-1(2H)-pyridinyl]propoxy}phenyl)-2-ethoxypropanoic acid | C25H29Cl2NO4

3-(4-{3-[4-(3,4-Dichlorophenyl)-3,6-dihydro-1(2H)-pyridinyl]propoxy}phenyl)-2-ethoxypropanoic acid

  • Molecular FormulaC25H29Cl2NO4
  • Average mass478.408 Da
  • Monoisotopic mass477.147369 Da
  • ChemSpider ID24719324

More details:

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

3-(4-{3-[4-(3,4-Dichlorophenyl)-3,6-dihydro-1(2H)-pyridinyl]propoxy}phenyl)-2-ethoxypropanoic acid [ACD/IUPAC Name]
3-(4-{3-[4-(3,4-Dichlorphenyl)-3,6-dihydro-1(2H)-pyridinyl]propoxy}phenyl)-2-ethoxypropansäure [German] [ACD/IUPAC Name]
Acide 3-(4-{3-[4-(3,4-dichlorophényl)-3,6-dihydro-1(2H)-pyridinyl]propoxy}phényl)-2-éthoxypropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-[3-[4-(3,4-dichlorophenyl)-3,6-dihydro-1(2H)-pyridinyl]propoxy]-α-ethoxy- [ACD/Index Name]
3-(4-(3-(4-(3,4-dichlorophenyl)-5,6-dihydropyridin-1(2H)-yl)propoxy)phenyl)-2-ethoxypropanoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL523944/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 635.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 338.2±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 127.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 39.47
ACD/KOC (pH 5.5): 94.16
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 31.85
ACD/KOC (pH 7.4): 75.98
Polar Surface Area: 59 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 383.1±3.0 cm3

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