THK-5351

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII JE3F6WUN31

Structure

InChI Key DLVXFZWSPCOWSN-CQSZACIVSA-N
Smiles CNc1ccc(-c2ccc3cc(OC[C@H](O)CF)ccc3n2)cn1
InChI
InChI=1S/C18H18FN3O2/c1-20-18-7-3-13(10-21-18)17-5-2-12-8-15(4-6-16(12)22-17)24-11-14(23)9-19/h2-8,10,14,23H,9,11H2,1H3,(H,20,21)/t14-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H18FN3O2
Molecular Weight 327.36
AlogP 3.05
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 67.27
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Cross References

Resources Reference
ChEMBL CHEMBL4650352
FDA SRS JE3F6WUN31
CONTENTS