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Search term: BIRILNPNSNJUCS-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4-{4-[4-(2-{[2-(4-Bromophenyl)ethyl](methyl)amino}-2-oxoethyl)phenoxy]butoxy}-3-methoxyphenyl)acetic acid | C30H34BrNO6

(4-{4-[4-(2-{[2-(4-Bromophenyl)ethyl](methyl)amino}-2-oxoethyl)phenoxy]butoxy}-3-methoxyphenyl)acetic acid

  • Molecular FormulaC30H34BrNO6
  • Average mass584.498 Da
  • Monoisotopic mass583.156921 Da
  • ChemSpider ID23289697

More details:

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

(4-{4-[4-(2-{[2-(4-Bromophenyl)ethyl](methyl)amino}-2-oxoethyl)phenoxy]butoxy}-3-methoxyphenyl)acetic acid [ACD/IUPAC Name]
(4-{4-[4-(2-{[2-(4-Bromphenyl)ethyl](methyl)amino}-2-oxoethyl)phenoxy]butoxy}-3-methoxyphenyl)essigsäure [German] [ACD/IUPAC Name]
Acide (4-{4-[4-(2-{[2-(4-bromophényl)éthyl](méthyl)amino}-2-oxoéthyl)phénoxy]butoxy}-3-méthoxyphényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[4-[4-[2-[[2-(4-bromophenyl)ethyl]methylamino]-2-oxoethyl]phenoxy]butoxy]-3-methoxy- [ACD/Index Name]
3-methoxy-2-{4-[4-(4-{[N-(4-bromophenethyl)-N-methylcarbamoyl]methyl}phenoxy)butoxy]phenyl}aceticacid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL390870/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 745.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 404.4±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 150.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 233.23
ACD/KOC (pH 5.5): 790.12
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 3.77
ACD/KOC (pH 7.4): 12.78
Polar Surface Area: 85 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 446.4±3.0 cm3

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