5-PHENYL-3-[2-(4-P-TOLYL-PIPERAZIN-1-YL)-ETHYL]-OXAZOLIDINE-2,4-DIONE

/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 KSRCSTJDFPHVKU-UHFFFAOYSA-N
Smiles Cc1ccc(cc1)N2CCN(CCN3C(=O)OC(C3=O)c4ccccc4)CC2
InChI
InChI=1S/C22H25N3O3/c1-17-7-9-19(10-8-17)24-14-11-23(12-15-24)13-16-25-21(26)20(28-22(25)27)18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H25N3O3
Molecular Weight 379.45
AlogP 3.67
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 53.09
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Cross References

Resources Reference
ChEMBL CHEMBL2235777
PubChem 76329727
CONTENTS