T-817

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: QY49O94S2W

Structure
InChI Key HQNACSFBDBYLJP-UHFFFAOYSA-N
Smile OC1CN(CCCOCCc2ccc3sccc3c2)C1
InChI
InChI=1S/C16H21NO2S/c18-15-11-17(12-15)6-1-7-19-8-4-13-2-3-16-14(10-13)5-9-20-16/h2-3,5,9-10,15,18H,1,4,6-8,11-12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H21NO2S
Molecular Weight 291.42
AlogP 2.53
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 32.7
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Cross References

Resources Reference
ChEMBL CHEMBL4302089
DrugBank DB05938
FDA SRS QY49O94S2W
SureChEMBL SCHEMBL27725
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