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Search term: LQYXBGTXPLGZCE-QFIPXVFZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(1R)-2-{[2-(5-Bromo-2-pyridinyl)-5-chloro-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]-4-(1-piperazinyl)butanamide | C26H31BrClN7O

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

  • Molecular FormulaC26H31BrClN7O
  • Average mass572.928 Da
  • Monoisotopic mass571.146179 Da
  • ChemSpider ID30828956

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazinebutanamide, N-[(1R)-2-[[2-(5-bromo-2-pyridinyl)-5-chloro-6-methyl-4-pyrimidinyl]amino]-1-phenylethyl]- [ACD/Index Name]
N-[(1R)-2-{[2-(5-Brom-2-pyridinyl)-5-chlor-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]-4-(1-piperazinyl)butanamid [German] [ACD/IUPAC Name]
N-[(1R)-2-{[2-(5-Bromo-2-pyridinyl)-5-chloro-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]-4-(1-piperazinyl)butanamide [ACD/IUPAC Name]
N-[(1R)-2-{[2-(5-Bromo-2-pyridinyl)-5-chloro-6-méthyl-4-pyrimidinyl]amino}-1-phényléthyl]-4-(1-pipérazinyl)butanamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 703.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 379.3±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 146.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.73
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 15.52
ACD/KOC (pH 7.4): 75.32
Polar Surface Area: 95 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 417.7±3.0 cm3

Click to predict properties on the Chemicalize site


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