164650-45-7

Name S,S-Efinaconazole
CAS 164650-45-7
Molecular Formula C18H22F2N4O
Molecular Weight 348.39
MOL File 164650-45-7.mol
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Chemical Properties

Boiling point  512.2±60.0 °C(Predicted)
density  1.26±0.1 g/cm3(Predicted)
pka 12.11±0.29(Predicted)
InChI InChI=1/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/s3
InChIKey NFEZZTICAUWDHU-GKGMEZMPNA-N
SMILES N1([C@@H](C)[C@](C2=CC=C(F)C=C2F)(CN2C=NC=N2)O)CCC(=C)CC1 |&1:1,3,r|

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