ChemSpider 2D Image | BAY-721973 | C21H16ClF3N4O4

BAY-721973

  • Molecular FormulaC21H16ClF3N4O4
  • Average mass480.824 Da
  • Monoisotopic mass480.081207 Da
  • ChemSpider ID32698436

More details:

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

1380310-94-0 [RN]
2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-(hydroxymethyl)- [ACD/Index Name]
4-[4-({[4-Chlor-3-(trifluormethyl)phenyl]carbamoyl}amino)phenoxy]-N-(hydroxymethyl)-2-pyridincarboxamid [German] [ACD/IUPAC Name]
4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-(hydroxymethyl)-2-pyridinecarboxamide [ACD/IUPAC Name]
4-[4-({[4-Chloro-3-(trifluorométhyl)phényl]carbamoyl}amino)phénoxy]-N-(hydroxyméthyl)-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
BAY-721973
2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-(hydroxymethyl)-
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(hydroxymethyl)pyridine-2-carboxamide
BAY 72-1973
Sorafenib metabolite M3

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

83F1Z938Q0 [DBID]
UNII:83F1Z938Q0 [DBID]
UNII-83F1Z938Q0 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 561.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 293.2±30.1 °C
Index of Refraction: 1.643
Molar Refractivity: 114.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 219.94
ACD/KOC (pH 5.5): 1652.35
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 220.11
ACD/KOC (pH 7.4): 1653.66
Polar Surface Area: 113 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 317.0±3.0 cm3

Click to predict properties on the Chemicalize site


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