Structure

InChI Key QTQPVLDZQVPLGV-UHFFFAOYSA-N
Smiles CC(CN(C)C)CN1c2ccccc2S(=O)(=O)c2ccccc21
InChI
InChI=1S/C18H22N2O2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)23(21,22)18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H22N2O2S
Molecular Weight 330.45
AlogP 3.17
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 40.62
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Related Entries

Cross References

Resources Reference
ChEBI 135408
ChEMBL CHEMBL2104734
DrugBank DB13820
DrugCentral 2025
FDA SRS Q824SGH3RN
Human Metabolome Database HMDB0240230
PubChem 19396
SureChEMBL SCHEMBL423634