IUPAC name
4,4'-[1,3-propanediylbis(oxy)]bis[benzenecarboximidamide]
SMILES
C(COc1ccc(cc1)C(=N)N)COc1ccc(cc1)C(=N)N
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
propamidine
IUPAC name
4,4'-[1,3-propanediylbis(oxy)]bis[benzenecarboximidamide]
SMILES
C(COc1ccc(cc1)C(=N)N)COc1ccc(cc1)C(=N)N
INCHI
InChI=1S/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21)
FORMULA
C17H20N4O2
Common name
propamidine
IUPAC name
4,4'-[1,3-propanediylbis(oxy)]bis[benzenecarboximidamide]
Molecular weight
312.366
clogP
2.314
clogS
-3.851
HBond Acceptor
2
HBond Donor
6
Total Polar Surface Area
118.2
Number of Rings
2
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00281 | ethoxybenzene |
|
O(c1ccccc1)CC | 0.0175 |
| FDBF00796 | propoxybenzene |
|
O(CCC)c1ccccc1 | 0.0062 |
| FDBF01714 | benzamidine |
|
c1ccc(cc1)C(=N)N | 0.0007 |
| FDBF01715 | 4-methoxybenzamidine |
|
COc1ccc(cc1)C(=N)N | 0.0007 |
| FDBF01716 | 4-ethoxybenzamidine |
|
C(C)Oc1ccc(cc1)C(=N)N | 0.0007 |
13 ,
2
