ChemSpider 2D Image | N-(3-{5-(2-Amino-4-pyrimidinyl)-2-[2-(~2~H_3_)methyl(~2~H_6_)-2-propanyl]-1,3-thiazol-4-yl}-2-fluorophenyl)-2,6-difluorobenzenesulfonamide | C23H11D9F3N5O2S2

N-(3-{5-(2-Amino-4-pyrimidinyl)-2-[2-(2H3)methyl(2H6)-2-propanyl]-1,3-thiazol-4-yl}-2-fluorophenyl)-2,6-difluorobenzenesulfonamide

  • Molecular FormulaC23H11D9F3N5O2S2
  • Average mass528.618 Da
  • Monoisotopic mass528.157532 Da
  • ChemSpider ID48058393
  • Non-standard isotope - Non-standard isotope


More details:






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

Benzenesulfonamide, N-[3-[5-(2-amino-4-pyrimidinyl)-2-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro- [ACD/Index Name]
N-(3-{5-(2-Amino-4-pyrimidinyl)-2-[2-(2H3)methyl(2H6)-2-propanyl]-1,3-thiazol-4-yl}-2-fluorophenyl)-2,6-difluorobenzenesulfonamide [ACD/IUPAC Name]
N-(3-{5-(2-Amino-4-pyrimidinyl)-2-[2-(2H3)méthyl(2H6)-2-propanyl]-1,3-thiazol-4-yl}-2-fluorophényl)-2,6-difluorobenzènesulfonamide [French] [ACD/IUPAC Name]
N-(3-{5-(2-Amino-4-pyrimidinyl)-2-[2-(2H3)methyl(2H6)-2-propanyl]-1,3-thiazol-4-yl}-2-fluorphenyl)-2,6-difluorbenzolsulfonamid [German] [ACD/IUPAC Name]
1423119-98-5 [RN]
dabrafenib-d9
N-[3-[5-(2-aminopyrimidin-4-yl)-2-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 653.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.2±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 127.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 444.83
ACD/KOC (pH 5.5): 2667.99
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 61.96
ACD/KOC (pH 7.4): 371.64
Polar Surface Area: 147 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 359.9±3.0 cm3

Click to predict properties on the Chemicalize site






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