Structure

InChI Key JPGUEMQIAGJQSJ-UHFFFAOYSA-N
Smile CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)N(C(C)=O)c3ccccc32)cc1
InChI
InChI=1S/C26H21NO6/c1-16(28)27-24-7-5-4-6-23(24)26(25(27)31,19-8-12-21(13-9-19)32-17(2)29)20-10-14-22(15-11-20)33-18(3)30/h4-15H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H21NO6
Molecular Weight 443.46
AlogP 3.76
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 89.98
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1909288
EPA CompTox DTXSID2066434
FDA SRS ZHJ4JHL6HB
SureChEMBL SCHEMBL3054943