IUPAC name
propyl 4-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]methyl]amino]benzoate
SMILES
CCCOC(=O)c1ccc(cc1)NCc1ccccc1Oc1nc(cc(n1)OC)OC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
pyribambenz-propyl
IUPAC name
propyl 4-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]methyl]amino]benzoate
SMILES
CCCOC(=O)c1ccc(cc1)NCc1ccccc1Oc1nc(cc(n1)OC)OC
INCHI
InChI=1S/C23H25N3O5/c1-4-13-30-22(27)16-9-11-18(12-10-16)24-15-17-7-5-6-8-19(17)31-23-25-20(28-2)14-21(26-23)29-3/h5-12,14,24H,4,13,15H2,1-3H3
FORMULA
C23H25N3O5
Common name
pyribambenz-propyl
IUPAC name
propyl 4-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]methyl]amino]benzoate
Molecular weight
423.462
clogP
3.949
clogS
-6.564
HBond Acceptor
7
HBond Donor
1
Total Polar Surface Area
91.8
Number of Rings
3
Rotatable Bond
11
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| FDBF00049 | N-methylaniline |
|
CNc1ccccc1 | 0.0076 |
| FDBF00415 | o-cresol |
|
c1c(c(ccc1)O)C | 0.0058 |
| FDBF00913 | phenylmethanamine |
|
NCc1ccccc1 | 0.0086 |
| FDBF01254 | 4-methoxypyrimidine |
|
O(C)c1ccncn1 | 0.0086 |
| FDBF01560 | methyl benzoate |
|
O(C(=O)c1ccccc1)C | 0.0038 |
| FDBF04152 | methyl 4-(methylamino)benzoate |
|
O(C(=O)c1ccc(cc1)NC)C | 0.0007 |
20 ,
3
