ChemSpider 2D Image | (4,6-Dimethyl-5-pyrimidinyl){4-[(3S)-4-{2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl}-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl}methanone | C28H38F3N5O2

(4,6-Dimethyl-5-pyrimidinyl){4-[(3S)-4-{2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl}-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl}methanone

  • Molecular FormulaC28H38F3N5O2
  • Average mass533.629 Da
  • Monoisotopic mass533.297729 Da
  • ChemSpider ID21106404
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(4,6-Dimethyl-5-pyrimidinyl){4-[(3S)-4-{2-methoxy-1-[4-(trifluormethyl)phenyl]ethyl}-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl}methanon [German] [ACD/IUPAC Name]
(4,6-Dimethyl-5-pyrimidinyl){4-[(3S)-4-{2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl}-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl}methanone [ACD/IUPAC Name]
(4,6-Diméthyl-5-pyrimidinyl){4-[(3S)-4-{2-méthoxy-1-[4-(trifluorométhyl)phényl]éthyl}-3-méthyl-1-pipérazinyl]-4-méthyl-1-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (4,6-dimethyl-5-pyrimidinyl)[4-[(3S)-4-[2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 608.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.5±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 140.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 3.24
ACD/KOC (pH 5.5): 26.91
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 96.04
ACD/KOC (pH 7.4): 797.64
Polar Surface Area: 62 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 446.1±3.0 cm3

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