Structure

InChI Key JSZILQVIPPROJI-UHFFFAOYSA-N
Smile CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1OC(C)=O
InChI
InChI=1S/C22H32N2O5/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25/h10-11,17-19H,6-9,12-13H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H32N2O5
Molecular Weight 404.51
AlogP 2.42
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 68.31
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 29.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 27662
ChEMBL CHEMBL1201250
DrugBank DB00767
DrugCentral 331
EPA CompTox DTXSID9022657
FDA SRS 0475EA27Q3
Human Metabolome Database HMDB0014905
Guide to Pharmacology 7124
PharmGKB PA164749018
PubChem 2342
SureChEMBL SCHEMBL49405