IUPAC name
methyl 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]benzoate
SMILES
CCCOc1nn(C(=O)NS(=O)(=O)c2ccccc2C(=O)OC)c(=O)n1C
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
propoxycarbazone
IUPAC name
methyl 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]benzoate
SMILES
CCCOc1nn(C(=O)NS(=O)(=O)c2ccccc2C(=O)OC)c(=O)n1C
INCHI
InChI=1S/C15H18N4O7S/c1-4-9-26-14-16-19(15(22)18(14)2)13(21)17-27(23,24)11-8-6-5-7-10(11)12(20)25-3/h5-8H,4,9H2,1-3H3,(H,17,21)
FORMULA
C15H18N4O7S
Common name
propoxycarbazone
IUPAC name
methyl 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]benzoate
Molecular weight
398.391
clogP
-0.254
clogS
-1.799
HBond Acceptor
8
HBond Donor
1
Total Polar Surface Area
142.08
Number of Rings
2
Rotatable Bond
8
