ChemSpider 2D Image | 2-[(3,4-Dichlorophenyl)amino]-N-{2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl}nicotinamide | C26H29Cl2N5O3

2-[(3,4-Dichlorophenyl)amino]-N-{2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl}nicotinamide

  • Molecular FormulaC26H29Cl2N5O3
  • Average mass530.446 Da
  • Monoisotopic mass529.164734 Da
  • ChemSpider ID24701393

More details:

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

2-[(3,4-Dichlorophenyl)amino]-N-{2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl}nicotinamide [ACD/IUPAC Name]
2-[(3,4-Dichlorophényl)amino]-N-{2-hydroxy-3-[4-(2-méthoxyphényl)-1-pipérazinyl]propyl}nicotinamide [French] [ACD/IUPAC Name]
2-[(3,4-Dichlorphenyl)amino]-N-{2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl}nicotinamid [German] [ACD/IUPAC Name]
3-Pyridinecarboxamide, 2-[(3,4-dichlorophenyl)amino]-N-[2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL483512/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 743.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 403.7±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 123.79
ACD/KOC (pH 5.5): 363.68
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 3578.53
ACD/KOC (pH 7.4): 10513.25
Polar Surface Area: 90 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 396.6±3.0 cm3

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