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

(R)-N-(3-(3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl)-5-fluoropicolinamide
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-5,6-dihydro-2,5-dimethyl-1,1-dioxido-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-fluoro-2-pyridinecarboxamide
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-dioxydo-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl]-4-fluorophényl}-5-fluoro-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
UNII-J1I0P6WT7T
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10028 [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:
    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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