ChemSpider 2D Image | NILOTINIB-D6 | C28H16D6F3N7O

NILOTINIB-D6

  • Molecular FormulaC28H16D6F3N7O
  • Average mass535.553 Da
  • Monoisotopic mass535.221436 Da
  • ChemSpider ID58780265

  • Non-standard isotope - Non-standard isotope

More details:

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

1268356-17-7 [RN]
4-(2H3)Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluormethyl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}(2H3)benzamid [German] [ACD/IUPAC Name]
4-(2H3)Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}(2H3)benzamide [ACD/IUPAC Name]
4-(2H3)Méthyl-N-[3-(4-méthyl-1H-imidazol-1-yl)-5-(trifluorométhyl)phényl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}(2H3)benzamide [French] [ACD/IUPAC Name]
Benzamide-2,3,6-d3, 4-(methyl-d3)-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-5-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]- [ACD/Index Name]
NILOTINIB-D6
2,3,6-trideuterio-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-4-(trideuteriomethyl)benzamide
4-(methyl-d3)-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-5-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-benzamide-2,3,6-d3
nilotinib d6

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 141.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 961.41
ACD/KOC (pH 5.5): 3660.25
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2361.69
ACD/KOC (pH 7.4): 8991.37
Polar Surface Area: 98 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 388.7±7.0 cm3

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