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Common name


furan tebufenozide

Formula


C24H30N2O3

CAS


467427-80-1

IUPAC name


2,3-dihydro-2,7-dimethyl-6-benzofurancarboxylic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide

SMILES


CC1CC2=C(O1)C(=C(C=C2)C(=O)NN(C(=O)C3=CC(=CC(=C3)C)C)C(C)(C)C)C

INCHI


InChI=1S/C24H30N2O3/c1-14-10-15(2)12-19(11-14)23(28)26(24(5,6)7)25-22(27)20-9-8-18-13-16(3)29-21(18)17(20)4/h8-12,16H,13H2,1-7H3,(H,25,27)

Physicochemical Properties

Molecular weight:

394.507

Molar refractivity:

121.625

Num. bonds:

31

Num. double bonds:

8

Num. triple bonds:

0

Num. heavy atoms:

29

Num. nitrogen atom:

2

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

1

Complexity of system:

149.05

Lipophilicity

ALogP:

3.339

MLogP:

3.55

XLogP:

4.63

Water Solubility

CLogS:

-5.708

Geometric

PPSA-1:

556.681

PNSA-1:

230.008

RPCS:

0.55

RNCS:

2.504

THSA:

732.039

TPSA:

54.649

RHSA:

0.931

RPSA:

0.069

Electrostatic

RPCG:

0.133

RNCG:

0.179

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.161

Photostability

Num. arom. bonds:

14

Num. arom. atoms:

14

Num. arom. rings:

2

Num. rings:

3

Topological

topoRadius:

7

topoDiameter:

13

TopoPSA:

58.89
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.089

QEI:

0.637

Gau:

6.001