DOTHIEPIN HYDROCHLORIDE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Salt-form
UNII 3H0042311V
EPA CompTox DTXSID60873550

Structure

InChI Key XUPZAARQDNSRJB-SJDTYFKWSA-N
Smiles CN(C)CC/C=C1\c2ccccc2CSc2ccccc21.Cl
InChI
InChI=1S/C19H21NS.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H/b17-11+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22ClNS
Molecular Weight 331.91
AlogP 4.68
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Cross References

Resources Reference
ChEBI 36805
ChEMBL CHEMBL1711280
FDA SRS 3H0042311V
PubChem 9884029
CONTENTS