179420-17-8

Name Tetrahydro-4-[3-[[4-(2-methyl-1H-imidazol-1-yl)phenyl]thio]phenyl]-2H-pyran-4-carboxamide
CAS 179420-17-8
Molecular Formula C22H23N3O2S
MDL Number MFCD00948114
Molecular Weight 393.5
MOL File 179420-17-8.mol
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Chemical Properties

Melting point  208-210 °C
Boiling point  681.0±65.0 °C(Predicted)
density  1.27±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: ≥10mg/mL
form  powder
pka 15.77±0.20(Predicted)
color  white to tan
InChI 1S/C22H23N3O2S/c1-16-24-11-12-25(16)18-5-7-19(8-6-18)28-20-4-2-3-17(15-20)22(21(23)26)9-13-27-14-10-22/h2-8,11-12,15H,9-10,13-14H2,1H3,(H2,23,26)
InChIKey VPTONMHDLLMOOV-UHFFFAOYSA-N
SMILES Cc1nccn1-c2ccc(Sc3cccc(c3)C4(CCOCC4)C(N)=O)cc2

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

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