IUPAC name
1-methylethyl 4-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]methyl]amino]benzoate
SMILES
CC(C)OC(=O)c1ccc(cc1)NCc1ccccc1Oc1nc(cc(n1)OC)OC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
pyribambenz-isopropyl
IUPAC name
1-methylethyl 4-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]methyl]amino]benzoate
SMILES
CC(C)OC(=O)c1ccc(cc1)NCc1ccccc1Oc1nc(cc(n1)OC)OC
INCHI
InChI=1S/C23H25N3O5/c1-15(2)30-22(27)16-9-11-18(12-10-16)24-14-17-7-5-6-8-19(17)31-23-25-20(28-3)13-21(26-23)29-4/h5-13,15,24H,14H2,1-4H3
FORMULA
C23H25N3O5
Common name
pyribambenz-isopropyl
IUPAC name
1-methylethyl 4-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]methyl]amino]benzoate
Molecular weight
423.462
clogP
3.778
clogS
-6.190
HBond Acceptor
7
HBond Donor
1
Total Polar Surface Area
91.8
Number of Rings
3
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00049 | N-methylaniline |
|
CNc1ccccc1 | 0.0076 |
| FDBF00415 | o-cresol |
|
c1c(c(ccc1)O)C | 0.0058 |
| FDBF00628 | isopropyl formate |
|
O(C=O)C(C)C | 0.0048 |
| FDBF00913 | phenylmethanamine |
|
NCc1ccccc1 | 0.0086 |
| FDBF01037 | isopropyl benzoate |
|
c1(ccccc1)C(=O)OC(C)C | 0.0021 |
| FDBF06470 | propan-2-yl 4-aminobenzoate |
|
c1(ccc(cc1)N)C(=O)OC(C)C | 0.0003 |
18 ,
2
