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Common name


chromafenozide

Formula


C24H30N2O3

CAS


143807-66-3

IUPAC name


3,4-dihydro-5-methyl-2H-1-benzopyran-6-carboxylic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide

SMILES


Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(CCCO2)c1C

INCHI


InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)

Physicochemical Properties

Molecular weight:

394.507

Molar refractivity:

106.92

Num. bonds:

31

Num. double bonds:

10

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:

2

Num. H-bond donors:

1

Complexity of system:

149.05

Lipophilicity

ALogP:

3.731

MLogP:

3.55

XLogP:

3.595

Water Solubility

CLogS:

-6.312

Geometric

PPSA-1:

536.048

PNSA-1:

173.04

RPCS:

0.378

RNCS:

2.962

THSA:

662.315

TPSA:

46.773

RHSA:

0.934

RPSA:

0.066

Electrostatic

RPCG:

0.134

RNCG:

0.169

Flexibility

Num. Rot. bonds:

4

Frac. of Rot. bonds:

0.129

Photostability

Num. arom. bonds:

14

Num. arom. atoms:

14

Num. arom. rings:

2

Num. rings:

3

Topological

topoRadius:

7

topoDiameter:

13

TopoPSA:

43.37
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.026

QEI:

0.579

Gau:

5.532