ChemSpider 2D Image | Imatinib-d3 | C29H28D3N7O

Imatinib-d3

  • Molecular FormulaC29H28D3N7O
  • Average mass496.621 Da
  • Monoisotopic mass496.277832 Da
  • ChemSpider ID30773409
  • Non-standard isotope - Non-standard isotope


More details:






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

1134803-18-1 [RN]
4-{[4-(2H3)Methyl-1-piperazinyl]methyl}-N-(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)benzamid [German] [ACD/IUPAC Name]
4-{[4-(2H3)Methyl-1-piperazinyl]methyl}-N-(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)benzamide [ACD/IUPAC Name]
4-{[4-(2H3)Méthyl-1-pipérazinyl]méthyl}-N-(4-méthyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phényl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[4-(methyl-d3)-1-piperazinyl]methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]- [ACD/Index Name]
Imatinib-d3
10.1016/j.bmc.2013.03.038
4-?[[4-?(methyl-?d3)?-?1-?piperazinyl]?methyl]?-?N-?[4-?methyl-?3-?[[4-?(3-?pyridinyl)?-?2-?pyrimidinyl]?amino]?phenyl]-benzamide
4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide
4-​[[4-​(methyl-​d3)​-​1-​piperazinyl]​methyl]​-​N-​[4-​methyl-​3-​[[4-​(3-​pyridinyl)​-​2-​pyrimidinyl]​amino]​phenyl]-benzamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 2.48
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.22
ACD/KOC (pH 5.5): 10.55
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 53.82
ACD/KOC (pH 7.4): 465.27
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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