Basic information
- CAS
65749-37-3- Standard SMILES
CCN(CCO)c1ccc(N=C2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2NC(=O)c2cccc(NC(=O)COc3ccc(C(C)(C)CC)cc3C(C)(C)CC)c2)c(C)c1- InChIKey
WUCNFXSTEJBBSR-UHFFFAOYSA-N- Molecular formula
- C45H51Cl3N6O5
- Average molar mass
- 862.3 g/mol
- Monoisotopic mass
- 860.298652
Names & identifiers
- Preferred name
- 3-[[2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-[4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide
- IUPAC
- 3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[4-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-3-yl]benzamide
- English name
- 3-[[[2,4-bis (1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-[4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methBenzamide 2-(2,4-di-tert-Pentylphenoxy)-3'-[[1-(2,4,6-trichlorophenyl)-4-[[4-[ethyl(2-hydroxyethyl) amino]-2-methylphenyl]imino]-5-oxo-2-pyrazolin-3-yl]carbamoyl]acetanilide
- Molecular formula
- C45H51Cl3N6O5
- Molecular weight
- 862.28
Names & synonyms
65749-37-33-((2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)acetyl)amino)-N-(4-((4-(ethyl(2-hydroxyethyl)amino)-2-methylphenyl)imino)-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)benzamide3-[[2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-[4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamideRefChem:272876Benzamide, 3-(((2,4-bis(1,1-dimethylpropyl)phenoxy)acetyl)amino)-N-(4-((4-(ethyl(2-hydroxyethyl)amino)-2-methylphenyl)imino)-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)-Benzamide, 3-[[[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-[4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-DTXSID2070348SCHEMBL13588276SCHEMBL13591807WUCNFXSTEJBBSR-UHFFFAOYSA-N(Z)-3-(2-(2,4-di-tert-pentylphenoxy)acetamido)-N-(4-((4-(ethyl(2-hydroxyethyl)amino)-2-methylphenyl)imino)-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)benzamide
Properties
Computed structural properties
- XLogP
- 11.5
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,500
Physicochemical properties
- EPA Substance Registry System
- 3 · Benzamide, 3-[[[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-[4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]- (65749-37-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzamide, 3-[[[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-[4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, 3-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-[4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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