Structure

InChI Key LUMAEVHDZXIGEP-UHFFFAOYSA-N
Smile CC(Cc1ccc2c(c1)OCO2)NCC(O)c1ccc(O)c(O)c1
InChI
InChI=1S/C18H21NO5/c1-11(6-12-2-5-17-18(7-12)24-10-23-17)19-9-16(22)13-3-4-14(20)15(21)8-13/h2-5,7-8,11,16,19-22H,6,9-10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21NO5
Molecular Weight 331.37
AlogP 2.08
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 91.18
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135413
ChEMBL CHEMBL1201273
DrugBank DB06814
DrugCentral 2318
FDA SRS 8Y5Y4EEO2V
PubChem 4969
SureChEMBL SCHEMBL50567