ChemSpider 2D Image | Verubecestat | C17H17F2N5O3S

Verubecestat

  • Molecular FormulaC17H17F2N5O3S
  • Average mass409.410 Da
  • Monoisotopic mass409.102020 Da
  • ChemSpider ID61717123

More details:






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

2-Pyridinecarboxamide, 5-fluoro-N-[4-fluoro-3-(tetrahydro-3-imino-2,5-dimethyl-1,1-dioxido-2H-1,2,4-thiadiazin-5-yl)phenyl]- [ACD/Index Name]
5-Fluor-N-[4-fluor-3-(3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl)phenyl]-2-pyridincarboxamid [German] [ACD/IUPAC Name]
5-Fluoro-N-[4-fluoro-3-(3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl)phenyl]-2-pyridinecarboxamide [ACD/IUPAC Name]
5-Fluoro-N-[4-fluoro-3-(3-imino-2,5-diméthyl-1,1-dioxydo-1,2,4-thiadiazinan-5-yl)phényl]-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
Verubecestat [INN] [USAN]
1286770-55-5 [RN]
J1I0P6WT7T
MFCD28963974
Verubecestat Free Base

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.655
Molar Refractivity: 98.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.42
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.70
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.59
Polar Surface Area: 124 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 269.3±7.0 cm3

Click to predict properties on the Chemicalize site






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