[4-[[[2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] methyl carbonate
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Basic information
- CAS
506446-86-2- Standard SMILES
COC(=O)Oc1ccc(C=NNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1OC- InChIKey
WFDOWDAQEXLRLZ-UHFFFAOYSA-N- Molecular formula
- C25H21ClF3N3O7S
- Average molar mass
- 600 g/mol
- Monoisotopic mass
- 599.0740834
Names & identifiers
- Preferred name
- [4-[[[2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] methyl carbonate
- IUPAC
- [4-[[[2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] methyl carbonate
- English name
- 4-(2-{[2-chloro(phenylsulfonyl)-5-(trifluoromethyl)anilino]acetyl}carbohydrazonoyl)-2-methoxyphenyl methyl carbonate
- Molecular formula
- C25H21ClF3N3O7S
- Molecular weight
- 599.97
Names & synonyms
4-(2-{[2-chloro(phenylsulfonyl)-5-(trifluoromethyl)anilino]acetyl}carbohydrazonoyl)-2-methoxyphenyl methyl carbonate
Database identifiers
- CAS
506446-86-2- PubChem CID
- 3973536
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 989
Physicochemical properties
- Density
- 1.412 · 1.412±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.175 · 11.175±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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