ChemSpider 2D Image | 4-{[4-(~2~H_3_)Methyl-1-piperazinyl]methyl}-N-(3-methyl-4-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)benzamide | C29H28D3N7O

4-{[4-(2H3)Methyl-1-piperazinyl]methyl}-N-(3-methyl-4-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)benzamide

  • Molecular FormulaC29H28D3N7O
  • Average mass496.621 Da
  • Monoisotopic mass496.277832 Da
  • ChemSpider ID48061199

  • Non-standard isotope - Non-standard isotope

More details:

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

4-{[4-(2H3)Methyl-1-piperazinyl]methyl}-N-(3-methyl-4-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)benzamid [German] [ACD/IUPAC Name]
4-{[4-(2H3)Methyl-1-piperazinyl]methyl}-N-(3-methyl-4-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)benzamide [ACD/IUPAC Name]
4-{[4-(2H3)Méthyl-1-pipérazinyl]méthyl}-N-(3-méthyl-4-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phényl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[4-(methyl-d3)-1-piperazinyl]methyl]-N-[3-methyl-4-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]- [ACD/Index Name]
1246819-27-1 [RN]
N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[[4-(trideuteriomethyl)piperazin-1-yl]methyl]benzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 147.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.05
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 24.89
ACD/KOC (pH 7.4): 267.52
Polar Surface Area: 86 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 393.0±3.0 cm3

Click to predict properties on the Chemicalize site


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