ChemSpider 2D Image | 1-(3-Amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-7-fluoro-1H-indazole-3-carboxamide | C27H22F2N8O2

1-(3-Amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-7-fluoro-1H-indazole-3-carboxamide

  • Molecular FormulaC27H22F2N8O2
  • Average mass528.513 Da
  • Monoisotopic mass528.183350 Da
  • ChemSpider ID17624925

More details:

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

1-(3-Amino-1,2-Benzisoxazol-5-Yl)-6-(4-{2-[(Dimethylamino)methyl]-1h-Imidazol-1-Yl}-2-Fluorophenyl)-7-Fluoro-1h-Indazole-3-Carboxamide
1-(3-Amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-7-fluoro-1H-indazole-3-carboxamide [ACD/IUPAC Name]
1-(3-Amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(diméthylamino)méthyl]-1H-imidazol-1-yl}-2-fluorophényl)-7-fluoro-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]
1-(3-Amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorphenyl)-7-fluor-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
1H-Indazole-3-carboxamide, 1-(3-amino-1,2-benzisoxazol-5-yl)-6-[4-[2-[(dimethylamino)methyl]-1H-imidazol-1-yl]-2-fluorophenyl]-7-fluoro- [ACD/Index Name]
CHEMBL398870
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL398870/
JNJ

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

Density: 1.5±0.1 g/cm3
Boiling Point: 754.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 410.3±35.7 °C
Index of Refraction: 1.738
Molar Refractivity: 138.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.08
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 10.07
ACD/KOC (pH 7.4): 100.61
Polar Surface Area: 134 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 343.3±7.0 cm3

Click to predict properties on the Chemicalize site


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