Basic information
- CAS
338400-94-5- Standard SMILES
CCOC(=O)C1=NOC(C(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)C1- InChIKey
JAXKNEPBYSBXDC-UHFFFAOYSA-N- Molecular formula
- C14H14ClF3N4O4
- Average molar mass
- 394.73 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-({2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazino}carbonyl)-4,5-dihydro-3-isoxazolecarboxylate
- IUPAC
- ethyl 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
- English name
- Ethyl 5-((2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazino)carbonyl)-4,5-dihydro-3-isoxazolecarboxylate
- Molecular formula
- C14H14ClF3N4O4
- Molecular weight
- 394.73
Names & synonyms
338400-94-5ethyl 5-({2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazino}carbonyl)-4,5-dihydro-3-isoxazolecarboxylateethyl 5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylateethyl 5-{N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N'-methylhydrazinecarbonyl}-4,5-dihydro-1,2-oxazole-3-carboxylateMFCD01315616Bionet1_002786MLS000696037C14H14ClF3N4O4CHEMBL1391579HMS576H08HMS2663F18AKOS005085862
Show more names
Ethyl 5-({2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazino}carbonyl)-4,5-dihydroEthyl 5-((2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazino)carbonyl)-4,5-dihydro-3-isoxazolecarboxylate3,5-Isoxazoledicarboxylic acid, 4,5-dihydro-, 3-ethyl ester, 5-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazide]
SMR0003349402M-901Ethyl 5-(2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-2-methylhydrazine-1-carbonyl)-4,5-dihydroisoxazole-3-carboxylateethyl 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]carbamoyl]-4,5-dihydroisoxazole-3-carboxylateethyl5-{N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N'-methylhydrazinecarbonyl}-4,5-dihydro-1,2-oxazole-3-carboxylate
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 575
Physicochemical properties
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 10.68 · 10.68±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
BIONET-INTER[email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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