N-TERT-BUTYL-N'-(4-TERT-BUTYLBENZOYL)-3,5-DIMETHYLBENZOHYDRAZIDE

/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 FIROFKZRSPJKLT-UHFFFAOYSA-N
Smiles Cc1cc(C)cc(c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C24H32N2O2/c1-16-13-17(2)15-19(14-16)22(28)26(24(6,7)8)25-21(27)18-9-11-20(12-10-18)23(3,4)5/h9-15H,1-8H3,(H,25,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H32N2O2
Molecular Weight 380.52
AlogP 5.38
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 49.41
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bombyx mori
7.08 - - - -
Spodoptera littoralis
7.08 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL2286430
PubChem 70427131
SureChEMBL SCHEMBL10718679
CONTENTS