ChemSpider 2D Image | N-{2-[4-({3-Chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide | C27H28ClF3N6O2

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

  • Molecular FormulaC27H28ClF3N6O2
  • Average mass560.998 Da
  • Monoisotopic mass560.191406 Da
  • ChemSpider ID35034542

More details:

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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.2±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 143.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.14
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 21.31
ACD/KOC (pH 7.4): 70.01
Polar Surface Area: 84 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 418.3±7.0 cm3

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