ChemSpider 2D Image | N-Benzyl-3-[({4-[4-(4-methoxyphenyl)-1-piperazinyl]-6-(2-methyl-2-propanyl)-2-pyrimidinyl}sulfanyl)methyl]benzamide | C34H39N5O2S

N-Benzyl-3-[({4-[4-(4-methoxyphenyl)-1-piperazinyl]-6-(2-methyl-2-propanyl)-2-pyrimidinyl}sulfanyl)methyl]benzamide

  • Molecular FormulaC34H39N5O2S
  • Average mass581.771 Da
  • Monoisotopic mass581.282471 Da
  • ChemSpider ID21566171

More details:

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

Benzamide, 3-[[[4-(1,1-dimethylethyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-3-[({4-[4-(4-methoxyphenyl)-1-piperazinyl]-6-(2-methyl-2-propanyl)-2-pyrimidinyl}sulfanyl)methyl]benzamid [German] [ACD/IUPAC Name]
N-Benzyl-3-[({4-[4-(4-methoxyphenyl)-1-piperazinyl]-6-(2-methyl-2-propanyl)-2-pyrimidinyl}sulfanyl)methyl]benzamide [ACD/IUPAC Name]
N-Benzyl-3-[({4-[4-(4-méthoxyphényl)-1-pipérazinyl]-6-(2-méthyl-2-propanyl)-2-pyrimidinyl}sulfanyl)méthyl]benzamide [French] [ACD/IUPAC 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: 792.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 433.3±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 171.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 869.41
ACD/KOC (pH 5.5): 1917.66
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 14263.41
ACD/KOC (pH 7.4): 31460.63
Polar Surface Area: 96 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 465.2±5.0 cm3

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