IUPAC name
tridemorph
SMILES
CCCCCCCCCCCCCN1CC(C)OC(C)C1
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
tridemorph
IUPAC name
tridemorph
SMILES
CCCCCCCCCCCCCN1CC(C)OC(C)C1
INCHI
InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3
FORMULA
C19H39NO (major component)
Common name
tridemorph
IUPAC name
tridemorph
Molecular weight
297.519
clogP
5.423
clogS
-5.614
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
12.47
Number of Rings
1
Rotatable Bond
12
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF00086 | hexane |
|
CCCCCC | 0.0151 |
| FDBF04215 | (2R,6S)-2,6-dimethylmorpholine |
|
CC1CNCC(O1)C | 0.0017 |
| FDBF06680 | (2S,6R)-2,4,6-trimethylmorpholine |
|
CN1C[C@H](C)O[C@H](C)C1 | 0.0010 |
| FDBF06681 | (2S,6R)-4-ethyl-2,6-dimethylmorpholine |
|
C[C@H](C1)O[C@@H](C)CN1CC | 0.0007 |
| FDBF06682 | (2S,6R)-2,6-dimethyl-4-propylmorpholine |
|
C[C@H](C1)O[C@@H](C)CN1CCC | 0.0010 |
| FDBF06683 | (2S,6R)-4-butyl-2,6-dimethylmorpholine |
|
CCCCN1C[C@H](C)O[C@H](C)C1 | 0.0007 |
9 ,
1
