Structure

InChI Key QDCJDYWGYVPBDO-UHFFFAOYSA-N
Smile COc1ccc(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc34)c(O)c3ccccc23)cc1
InChI
InChI=1S/C27H21NO5S/c1-33-18-11-13-19(14-12-18)34(31,32)28-24-16-23(27(30)22-9-5-4-8-21(22)24)26-20-7-3-2-6-17(20)10-15-25(26)29/h2-16,28-30H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H21NO5S
Molecular Weight 471.53
AlogP 5.88
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 95.86
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 34.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3392776
FDA SRS KZ3DLD11RQ
PubChem 1324494
SureChEMBL SCHEMBL16394007
ZINC ZINC000001154831