IUPAC name
(αE)-α-(methoxyimino)-2-[(3E,5E,6E)-5-(methoxyimino)-4,6-dimethyl-2,8-dioxa-3,7-diaza-3,6-nonadienyl]-N-methylbenzeneacetamide
SMILES
C/C(=NOC)/C(=NOC)/C(=N/OCc1ccccc1/C(=NOC)/C(=O)NC)/C
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
orysastrobin
IUPAC name
(αE)-α-(methoxyimino)-2-[(3E,5E,6E)-5-(methoxyimino)-4,6-dimethyl-2,8-dioxa-3,7-diaza-3,6-nonadienyl]-N-methylbenzeneacetamide
SMILES
C/C(=NOC)/C(=NOC)/C(=N/OCc1ccccc1/C(=NOC)/C(=O)NC)/C
INCHI
InChI=1S/C18H25N5O5/c1-12(20-25-4)16(22-26-5)13(2)21-28-11-14-9-7-8-10-15(14)17(23-27-6)18(24)19-3/h7-10H,11H2,1-6H3,(H,19,24)/b20-12+,21-13+,22-16+,23-17+
FORMULA
C18H25N5O5
Common name
orysastrobin
IUPAC name
(αE)-α-(methoxyimino)-2-[(3E,5E,6E)-5-(methoxyimino)-4,6-dimethyl-2,8-dioxa-3,7-diaza-3,6-nonadienyl]-N-methylbenzeneacetamide
Molecular weight
391.422
clogP
3.617
clogS
-3.303
HBond Acceptor
10
HBond Donor
1
Total Polar Surface Area
118.95
Number of Rings
1
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF06996 | (E)-2-(methoxyimino)-N-methyl-2-phenylacetamide |
|
c1c(cccc1)/C(=NOC)/C(=O)NC | 0.0014 |
| FDBF06998 | (E)-2-(methoxyimino)-N-methyl-2-(o-tolyl)acetamide |
|
c1(c(cccc1)/C(=NOC)/C(=O)NC)C | 0.0010 |
| FDBF07000 | (E)-2-(methoxyimino)-N-methylacetamide |
|
C(=NOC)/C(=O)NC | 0.0014 |
5 ,
1
