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Common name


benfuracarb

Formula


C20H30N2O5S

CAS


82560-54-1

IUPAC name


n-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-n-(1-methylethyl)-beta-alaninethylester;oc-11588

SMILES


CCOC(=O)CCN(C(C)C)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12

INCHI


InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3

Physicochemical Properties

Molecular weight:

410.528

Molar refractivity:

114.453

Num. bonds:

29

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

28

Num. nitrogen atom:

2

Num. oxygen atoms:

5

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

4

Num. H-bond donors:

0

Complexity of system:

85.08

Lipophilicity

ALogP:

2.058

MLogP:

2.78

XLogP:

3.175

Water Solubility

CLogS:

-3.884

Geometric

PPSA-1:

591.493

PNSA-1:

155.876

RPCS:

0.185

RNCS:

1.48

THSA:

668.408

TPSA:

78.962

RHSA:

0.894

RPSA:

0.106

Electrostatic

RPCG:

0.164

RNCG:

0.155

Flexibility

Num. Rot. bonds:

11

Frac. of Rot. bonds:

0.379

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

8

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

8

topoDiameter:

15

TopoPSA:

90.37
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.156

QEI:

0.564

Gau:

4.575