Found 1 result

Search term: OGUUREAHYUUHTJ-QFIPXVFZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(1R)-2-{[5-Chloro-2-(5-fluoro-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]-4-(1-piperazinyl)butanamide | C26H31ClFN7O

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

  • Molecular FormulaC26H31ClFN7O
  • Average mass512.022 Da
  • Monoisotopic mass511.226257 Da
  • ChemSpider ID30828954

  • 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-[[5-chloro-2-(5-fluoro-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino]-1-phenylethyl]- [ACD/Index Name]
N-[(1R)-2-{[5-Chlor-2-(5-fluor-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]-4-(1-piperazinyl)butanamid [German] [ACD/IUPAC Name]
N-[(1R)-2-{[5-Chloro-2-(5-fluoro-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]-4-(1-piperazinyl)butanamide [ACD/IUPAC Name]
N-[(1R)-2-{[5-Chloro-2-(5-fluoro-2-pyridinyl)-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: 1.3±0.1 g/cm3
Boiling Point: 673.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 360.8±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 139.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.04
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 1.87
ACD/KOC (pH 7.4): 16.58
Polar Surface Area: 95 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 405.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement