ChemSpider 2D Image | BMS-903452 | C21H19Cl2FN4O4S

BMS-903452

  • Molecular FormulaC21H19Cl2FN4O4S
  • Average mass513.369 Da
  • Monoisotopic mass512.048828 Da
  • ChemSpider ID52083223

More details:

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

1339944-47-6 [RN]
2(1H)-Pyridinone, 5-chloro-4-[[1-(5-chloro-2-pyrimidinyl)-4-piperidinyl]oxy]-1-[2-fluoro-4-(methylsulfonyl)phenyl]- [ACD/Index Name]
5-Chlor-4-{[1-(5-chlor-2-pyrimidinyl)-4-piperidinyl]oxy}-1-[2-fluor-4-(methylsulfonyl)phenyl]-2(1H)-pyridinon [German] [ACD/IUPAC Name]
5-Chloro-4-{[1-(5-chloro-2-pyrimidinyl)-4-piperidinyl]oxy}-1-[2-fluoro-4-(methylsulfonyl)phenyl]-2(1H)-pyridinone [ACD/IUPAC Name]
5-Chloro-4-{[1-(5-chloro-2-pyrimidinyl)-4-pipéridinyl]oxy}-1-[2-fluoro-4-(méthylsulfonyl)phényl]-2(1H)-pyridinone [French] [ACD/IUPAC Name]
BMS-903452
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3338194/

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

49731B9ULN [DBID]
UNII:49731B9ULN [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 735.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.7±35.7 °C
Index of Refraction: 1.668
Molar Refractivity: 121.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.21
ACD/KOC (pH 5.5): 522.19
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.79
ACD/KOC (pH 7.4): 529.08
Polar Surface Area: 101 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 325.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement