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Common name


famoxadone

Formula


C22H18N2O4

CAS


131807-57-3

IUPAC name


5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-2,4-oxazolidinedione

SMILES


CC1(c2ccc(cc2)Oc2ccccc2)C(=O)N(C(=O)O1)Nc1ccccc1

INCHI


InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3

Physicochemical Properties

Molecular weight:

374.127

Molar refractivity:

112.82

Num. bonds:

31

Num. double bonds:

12

Num. triple bonds:

0

Num. heavy atoms:

28

Num. nitrogen atom:

2

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

5

Num. H-bond donors:

1

Complexity of system:

205.06

Lipophilicity

ALogP:

1.629

MLogP:

3.22

XLogP:

3.179

Water Solubility

CLogS:

-5.108

Geometric

PPSA-1:

397.627

PNSA-1:

284.841

RPCS:

0.833

RNCS:

2.238

THSA:

576.251

TPSA:

106.217

RHSA:

0.844

RPSA:

0.156

Electrostatic

RPCG:

0.178

RNCG:

0.143

Flexibility

Num. Rot. bonds: 5

5

Frac. of Rot. bonds:

0.161

AgroPAD

Photostability

Num. arom. bonds:

18

Num. arom. atoms:

18

Num. arom. rings:

3

Num. rings:

4

Topological

topoRadius:

8

topoDiameter:

16

TopoPSA:

64.63
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

0.953

QEF:

0.334

Gau:

5.53548