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ChemSpider 2D Image | Verubecestat | C17H17F2N5O3S

Verubecestat

  • Molecular FormulaC17H17F2N5O3S
  • Average mass409.410 Da
  • Monoisotopic mass409.102020 Da
  • ChemSpider ID31399364
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

10028
1286770-55-5 [RN]
2-Pyridinecarboxamide, N-[3-[(5R)-3-amino-5,6-dihydro-2,5-dimethyl-1,1-dioxido-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-fluoro- [ACD/Index Name]
J1I0P6WT7T
N-{3-[(5R)-3-Amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoro-2-pyridinecarboxamide [ACD/IUPAC Name]
N-{3-[(5R)-3-Amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl]-4-fluorphenyl}-5-fluor-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-{3-[(5R)-3-amino-2,5-diméthyl-1,1-dioxo-1,2,5,6- tétrahydro-1λ6,2,4-thiadiazin-5-yl]-4-fluorophényl}- 5-fluoropyridine-2-carboxamide [French]
N-{3-[(5R)-3-amino-2,5-diméthyl-1,1-dioxo-1,2,5,6- tétrahydro-1λ6,2,4-thiadiazin-5-yl]-4-fluorophényl}- 5-fluoropyridine-2-carboxamide [INN]
N-{3-[(5R)-3-Amino-2,5-diméthyl-1,1-dioxydo-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl]-4-fluorophényl}-5-fluoro-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
UNII-J1I0P6WT7T
More...

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: -0.56
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.36
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.28
Polar Surface Area: 126 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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