N-{3-[2-(4-FLUOROPHENOXY)ETHYL]-2,4-DIOXO-1,3-DIAZASPIRO[4.5]DEC-8-YL}-4-METHOXYBENZENE SULFONAMIDE

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key YQSBQDRTTUOZQZ-UHFFFAOYSA-N
Smiles COc1ccc(cc1)S(=O)(=O)NC2CCC3(CC2)NC(=O)N(CCOc4ccc(F)cc4)C3=O
InChI
InChI=1S/C23H26FN3O6S/c1-32-18-6-8-20(9-7-18)34(30,31)26-17-10-12-23(13-11-17)21(28)27(22(29)25-23)14-15-33-19-4-2-16(24)3-5-19/h2-9,17,26H,10-15H2,1H3,(H,25,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H26FN3O6S
Molecular Weight 491.53
AlogP 2.66
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 122.42
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 34.0

Cross References

Resources Reference
ChEMBL CHEMBL2295921
PubChem 76327520
CONTENTS