IUPAC name
4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-1H-1,2,4-triazole-1-carboxamide
SMILES
Cn1c(nn(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)c1=O)OC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
flucarbazone
IUPAC name
4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-1H-1,2,4-triazole-1-carboxamide
SMILES
Cn1c(nn(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)c1=O)OC
INCHI
InChI=1S/C12H11F3N4O6S/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15/h3-6H,1-2H3,(H,17,20)
FORMULA
C12H11F3N4O6S
Common name
flucarbazone
IUPAC name
4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-1H-1,2,4-triazole-1-carboxamide
Molecular weight
396.299
clogP
-0.318
clogS
-1.542
HBond Acceptor
7
HBond Donor
1
Total Polar Surface Area
125.01
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00279 | (dihydroxy-λ3-sulfanyl)benzene |
|
[S](O)(O)c1ccccc1 | 0.0052 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF01719 | trifluoromethanol |
|
OC(F)(F)F | 0.0034 |
| FDBF04213 | trifluoromethoxybenzene |
|
c1cc(ccc1)OC(F)(F)F | 0.0024 |
| FDBF06131 | 1-(dihydroxy-λ3-sulfanyl)-2-(trifluoromethoxy)benzene |
|
O(c1c(cccc1)[S](O)O)C(F)(F)F | 0.0003 |
8 ,
1
