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Search term: QZLKLWALIASERX-DEOSSOPVSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | N-[(1R)-2-{[5-Chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]-4-phenylbutanamide | C28H27Cl2N5O

N-[(1R)-2-{[5-Chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]-4-phenylbutanamide

  • Molecular FormulaC28H27Cl2N5O
  • Average mass520.453 Da
  • Monoisotopic mass519.159241 Da
  • ChemSpider ID30828963
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Benzenebutanamide, N-[(1R)-2-[[5-chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino]-1-phenylethyl]- [ACD/Index Name]
N-[(1R)-2-{[5-Chlor-2-(5-chlor-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]-4-phenylbutanamid [German] [ACD/IUPAC Name]
N-[(1R)-2-{[5-Chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]-4-phenylbutanamide [ACD/IUPAC Name]
N-[(1R)-2-{[5-Chloro-2-(5-chloro-2-pyridinyl)-6-méthyl-4-pyrimidinyl]amino}-1-phényléthyl]-4-phénylbutanamide [French] [ACD/IUPAC Name]
10.1016/j.bmc.2013.02.023

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 685.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.1±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 145.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10670.92
ACD/KOC (pH 5.5): 26600.34
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10678.55
ACD/KOC (pH 7.4): 26619.36
Polar Surface Area: 80 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 404.6±3.0 cm3

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