Found 1 result

Search term: PZULZLKLPURNST-SANMLTNESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-(4-{[(1R)-2-{[5-Chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]amino}butyl)benzonitrile | C29H28Cl2N6

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

  • Molecular FormulaC29H28Cl2N6
  • Average mass531.479 Da
  • Monoisotopic mass530.175232 Da
  • ChemSpider ID30828974

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-(4-{[(1R)-2-{[5-Chlor-2-(5-chlor-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]amino}butyl)benzonitril [German] [ACD/IUPAC Name]
4-(4-{[(1R)-2-{[5-Chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]amino}butyl)benzonitrile [ACD/IUPAC Name]
4-(4-{[(1R)-2-{[5-Chloro-2-(5-chloro-2-pyridinyl)-6-méthyl-4-pyrimidinyl]amino}-1-phényléthyl]amino}butyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[4-[[(1R)-2-[[5-chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino]-1-phenylethyl]amino]butyl]- [ACD/Index 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: 658.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.9±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 148.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 48.47
ACD/KOC (pH 5.5): 94.20
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 2077.90
ACD/KOC (pH 7.4): 4038.63
Polar Surface Area: 87 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 406.8±5.0 cm3

Click to predict properties on the Chemicalize site


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