Responsive image

Common name


tebufenozide

Formula


C22H28N2O2

CAS


112410-23-8

IUPAC name


3,5-dimethylbenzoic acid 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide

SMILES


CCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C

INCHI


InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)

Physicochemical Properties

Molecular weight:

352.47

Molar refractivity:

99.552

Num. bonds:

27

Num. double bonds:

10

Num. triple bonds:

0

Num. heavy atoms:

26

Num. nitrogen atom:

2

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

1

Complexity of system:

79.04

Lipophilicity

ALogP:

4.407

MLogP:

3.44

XLogP:

4.293

Water Solubility

CLogS:

-5.876

Geometric

PPSA-1:

545.578

PNSA-1:

249.962

RPCS:

0.392

RNCS:

2.171

THSA:

758.296

TPSA:

37.244

RHSA:

0.953

RPSA:

0.047

Electrostatic

RPCG:

0.148

RNCG:

0.145

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.185

Photostability

Num. arom. bonds:

14

Num. arom. atoms:

14

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

7

topoDiameter:

13

TopoPSA:

34.14
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.192

QEI:

0.608

Gau:

5.814