Structure

InChI Key FZNXAQMQVKBXDR-UHFFFAOYSA-N
Smile CCN(CC)CCOc1ccc2nc(N(C)C)sc2c1.Cl.Cl
InChI
InChI=1S/C15H23N3OS.2ClH/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4;;/h7-8,11H,5-6,9-10H2,1-4H3;2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H25Cl2N3OS
Molecular Weight 366.36
AlogP 3.08
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 28.6
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Cross References

Resources Reference
ChEBI 31474
ChEMBL CHEMBL346235
EPA CompTox DTXSID40159627
FDA SRS 3LF09TBB5W
PubChem 8707
SureChEMBL SCHEMBL155646