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Search term: SBOQZTAOAPQACY (Found by InChIKey (skeleton match))

ChemSpider 2D Image | [4-(3-Chloro-4-fluorophenyl)-1-piperazinyl]{1-[6-(4-methoxyphenyl)-4-pyrimidinyl]-4-piperidinyl}methanone | C27H29ClFN5O2

[4-(3-Chloro-4-fluorophenyl)-1-piperazinyl]{1-[6-(4-methoxyphenyl)-4-pyrimidinyl]-4-piperidinyl}methanone

  • Molecular FormulaC27H29ClFN5O2
  • Average mass510.003 Da
  • Monoisotopic mass509.199371 Da
  • ChemSpider ID39341718

More details:






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

[4-(3-Chlor-4-fluorphenyl)-1-piperazinyl]{1-[6-(4-methoxyphenyl)-4-pyrimidinyl]-4-piperidinyl}methanon [German] [ACD/IUPAC Name]
[4-(3-Chloro-4-fluorophenyl)-1-piperazinyl]{1-[6-(4-methoxyphenyl)-4-pyrimidinyl]-4-piperidinyl}methanone [ACD/IUPAC Name]
[4-(3-Chloro-4-fluorophényl)-1-pipérazinyl]{1-[6-(4-méthoxyphényl)-4-pyrimidinyl]-4-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(3-chloro-4-fluorophenyl)-1-piperazinyl][1-[6-(4-methoxyphenyl)-4-pyrimidinyl]-4-piperidinyl]- [ACD/Index Name]
(4-(3-chloro-4-fluorophenyl)piperazin-1-yl)(1-(6-(4-methoxyphenyl)pyrimidin-4-yl)piperidin-4-yl)methanone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 735.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 398.8±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 136.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 46.53
ACD/KOC (pH 5.5): 199.19
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1085.97
ACD/KOC (pH 7.4): 4648.87
Polar Surface Area: 62 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 393.7±3.0 cm3

Click to predict properties on the Chemicalize site






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