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Search term: PWPQIEUUVHPJDV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[(1R)-2-{[5-Chloro-2-(4-methoxy-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]-4-(1-piperazinyl)butanamide | C27H34ClN7O2

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

  • Molecular FormulaC27H34ClN7O2
  • Average mass524.058 Da
  • Monoisotopic mass523.246277 Da
  • ChemSpider ID30828960

  • 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-(4-methoxy-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino]-1-phenylethyl]- [ACD/Index Name]
N-[(1R)-2-{[5-Chlor-2-(4-methoxy-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]-4-(1-piperazinyl)butanamid [German] [ACD/IUPAC Name]
N-[(1R)-2-{[5-Chloro-2-(4-methoxy-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]-4-(1-piperazinyl)butanamide [ACD/IUPAC Name]
N-[(1R)-2-{[5-Chloro-2-(4-méthoxy-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: 1.2±0.1 g/cm3
Boiling Point: 695.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.2±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 145.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.74
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 3.84
ACD/KOC (pH 7.4): 27.70
Polar Surface Area: 104 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 425.6±3.0 cm3

Click to predict properties on the Chemicalize site


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