ChemSpider 2D Image | 4-({[4-(Methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-2-pyrimidinyl]sulfanyl}methyl)-N-(2-pyridinylmethyl)benzamide | C31H31F3N6O2S

4-({[4-(Methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-2-pyrimidinyl]sulfanyl}methyl)-N-(2-pyridinylmethyl)benzamide

  • Molecular FormulaC31H31F3N6O2S
  • Average mass608.677 Da
  • Monoisotopic mass608.218140 Da
  • ChemSpider ID21565140

More details:

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

4-({[4-(Methoxymethyl)-6-{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}-2-pyrimidinyl]sulfanyl}methyl)-N-(2-pyridinylmethyl)benzamid [German] [ACD/IUPAC Name]
4-({[4-(Methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-2-pyrimidinyl]sulfanyl}methyl)-N-(2-pyridinylmethyl)benzamide [ACD/IUPAC Name]
4-({[4-(Méthoxyméthyl)-6-{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}-2-pyrimidinyl]sulfanyl}méthyl)-N-(2-pyridinylméthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[[4-(methoxymethyl)-6-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(2-pyridinylmethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 788.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 430.7±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 160.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1059.48
ACD/KOC (pH 5.5): 4599.46
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1508.67
ACD/KOC (pH 7.4): 6549.54
Polar Surface Area: 109 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 440.4±5.0 cm3

Click to predict properties on the Chemicalize site


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