IUPAC name
(phenylimino)di-2,1-ethanediyl bis(3,6-dichloro-2-methoxybenzoate)
SMILES
COc1c(ccc(c1C(=O)OCCN(CCOC(=O)c1c(ccc(c1OC)Cl)Cl)c1ccccc1)Cl)Cl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
cambendichlor
IUPAC name
(phenylimino)di-2,1-ethanediyl bis(3,6-dichloro-2-methoxybenzoate)
SMILES
COc1c(ccc(c1C(=O)OCCN(CCOC(=O)c1c(ccc(c1OC)Cl)Cl)c1ccccc1)Cl)Cl
INCHI
InChI=1S/C26H23Cl4NO6/c1-34-23-19(29)10-8-17(27)21(23)25(32)36-14-12-31(16-6-4-3-5-7-16)13-15-37-26(33)22-18(28)9-11-20(30)24(22)35-2/h3-11H,12-15H2,1-2H3
FORMULA
C26H23Cl4NO6
Common name
cambendichlor
IUPAC name
(phenylimino)di-2,1-ethanediyl bis(3,6-dichloro-2-methoxybenzoate)
Molecular weight
587.276
clogP
6.958
clogS
-8.837
HBond Acceptor
7
HBond Donor
0
Total Polar Surface Area
74.3
Number of Rings
3
Rotatable Bond
13
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00049 | N-methylaniline |
|
CNc1ccccc1 | 0.0076 |
| FDBF02828 | N-ethyl-N-methyl-aniline |
|
C(C)N(c1ccccc1)C | 0.0014 |
| FDBF05829 | 3,6-dichloro-2-methoxybenzoic acid |
|
c1(c(c(ccc1Cl)Cl)C(=O)O)OC | 0.0003 |
| FDBF05830 | methyl 2,5-dichlorobenzoate |
|
COC(=O)c1cc(ccc1Cl)Cl | 0.0003 |
15 ,
2
