Synonyms
Status
Molecule Category UNKNOWN
ATC N05AB10
UNII 8915147A2B
EPA CompTox DTXSID6048628

Structure

InChI Key WEYVCQFUGFRXOM-UHFFFAOYSA-N
Smiles CN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1
InChI
InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H25N3S
Molecular Weight 339.51
AlogP 3.93
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 9.72
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Related Entries

Cross References

Resources Reference
ChEBI 59118
ChEMBL CHEMBL1697766
DrugBank DB12710
DrugCentral 2100
FDA SRS 8915147A2B
KEGG C16903
PubChem 4744
SureChEMBL SCHEMBL147165
ZINC ZINC000019362664