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 |
|---|---|---|---|---|
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| FDBF00066 | N-methylmethanamine |
|
N(C)C | 0.0914 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00105 | methyl formate |
|
O(C=O)C | 0.0323 |
| FDBF00642 | N,N-dimethylaniline |
|
CN(C)c1ccccc1 | 0.0045 |
| FDBF01683 | 2-aminoethyl formate |
|
C(COC=O)N | 0.0027 |
| FDBF02825 | N-ethylaniline |
|
C(C)Nc1ccccc1 | 0.0021 |
| FDBF05837 | 2,5-dichlorobenzoic acid |
|
c1c(c(ccc1Cl)Cl)C(=O)O | 0.0007 |
15 ,
2
