Structure

InChI Key SWECWXGUJQLXJF-BTJKTKAUSA-N
Smile CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C20H24N2.C4H4O4/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20;5-3(6)1-2-4(7)8/h4-10,12,15H,11,13-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H28N2O4
Molecular Weight 408.5
AlogP 4.15
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 16.13
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Arrhythmias, Cardiac 1 D001145 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31500
ChEMBL CHEMBL1870768
FDA SRS 6LL60J9E0O
PubChem 5282414
SureChEMBL SCHEMBL359490