IUPAC name
8-(2,6-diethyl-4-methylphenyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl 2,2-dimethylpropanoate
SMILES
CCc1cc(C)cc(CC)c1c1c(=O)n2CCOCCn2c1OC(=O)C(C)(C)C
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
pinoxaden
IUPAC name
8-(2,6-diethyl-4-methylphenyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl 2,2-dimethylpropanoate
SMILES
CCc1cc(C)cc(CC)c1c1c(=O)n2CCOCCn2c1OC(=O)C(C)(C)C
INCHI
InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3
FORMULA
C23H32N2O4
Common name
pinoxaden
IUPAC name
8-(2,6-diethyl-4-methylphenyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl 2,2-dimethylpropanoate
Molecular weight
400.511
clogP
4.609
clogS
-5.348
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
62.46
Number of Rings
3
Rotatable Bond
6
