Structure

InChI Key BPOMPTVRBWXZBY-UHFFFAOYSA-N
Smile CCOC(Nc1ccc(C(=O)O)cc1)C(=O)c1ccc(-c2ccccc2)cc1
InChI
InChI=1S/C23H21NO4/c1-2-28-22(24-20-14-12-19(13-15-20)23(26)27)21(25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15,22,24H,2H2,1H3,(H,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H21NO4
Molecular Weight 375.42
AlogP 4.71
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 75.63
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 28.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1909289
FDA SRS KDU8VH09O8
PubChem 239062
SureChEMBL SCHEMBL467455