Structure

InChI Key UVOIBTBFPOZKGP-UHFFFAOYSA-N
Smile CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2
InChI
InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24N2OS
Molecular Weight 340.49
AlogP 4.83
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 23.55
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 8491
ChEMBL CHEMBL1201210
DrugBank DB00777
DrugCentral 2298
EPA CompTox DTXSID1023520
FDA SRS 242Z0PM79Y
Human Metabolome Database HMDB0014915
Guide to Pharmacology 7284
KEGG C07405
PharmGKB PA164778685
PubChem 4940
SureChEMBL SCHEMBL93770