ChemSpider 2D Image | N-{2-[4-({3-Chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxypropanamide | C24H21ClF3N5O3

N-{2-[4-({3-Chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxypropanamide

  • Molecular FormulaC24H21ClF3N5O3
  • Average mass519.903 Da
  • Monoisotopic mass519.128479 Da
  • ChemSpider ID28495900

More details:

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

N-{2-[4-({3-Chlor-4-[3-(trifluormethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxypropanamid [German] [ACD/IUPAC Name]
N-{2-[4-({3-Chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxypropanamide [ACD/IUPAC Name]
N-{2-[4-({3-Chloro-4-[3-(trifluorométhyl)phénoxy]phényl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]éthyl}-3-hydroxypropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[2-[4-[[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]amino]-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-3-hydroxy- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 703.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 379.4±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 127.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 2.91
ACD/KOC (pH 5.5): 19.70
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 103.78
ACD/KOC (pH 7.4): 702.98
Polar Surface Area: 101 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 358.4±7.0 cm3

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