NBI-921352

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Synonyms
Status
Molecule Category Free-form
UNII SV2WPA4R4J

Structure

InChI Key UCSHINHOAVARGQ-SFHVURJKSA-N
Smiles Cc1cc(S(=O)(=O)Nc2cscn2)c(F)cc1N(C)[C@H]1CCN(Cc2ccccc2)C1
InChI
InChI=1S/C22H25FN4O2S2/c1-16-10-21(31(28,29)25-22-14-30-15-24-22)19(23)11-20(16)26(2)18-8-9-27(13-18)12-17-6-4-3-5-7-17/h3-7,10-11,14-15,18,25H,8-9,12-13H2,1-2H3/t18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H25FN4O2S2
Molecular Weight 460.6
AlogP 4.1
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 65.54
Molecular species ZWITTERION
Aromatic Rings 3.0
Heavy Atoms 31.0

Cross References

Resources Reference
ChEMBL CHEMBL4650313
FDA SRS SV2WPA4R4J
CONTENTS