N-TERT-BUTYL-2-CHLORO-N'-(4-PROPYLBENZOYL)BENZOHYDRAZIDE

/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 ZESHJUIZOWZVPB-UHFFFAOYSA-N
Smiles CCCc1ccc(cc1)C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C
InChI
InChI=1S/C21H25ClN2O2/c1-5-8-15-11-13-16(14-12-15)19(25)23-24(21(2,3)4)20(26)17-9-6-7-10-18(17)22/h6-7,9-14H,5,8H2,1-4H3,(H,23,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25ClN2O2
Molecular Weight 372.89
AlogP 5.07
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 49.41
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bombyx mori
9.12-30.9 - - - -
Drosophila melanogaster
9772.37 - - - -
Spodoptera frugiperda
- 22.91 - - -
Spodoptera littoralis
74.13 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL2286427
PubChem 76316389
CONTENTS