methyl 2-[3-[[[2-[N-(benzenesulfonyl)-4-methylanilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
Basic information
- CAS
5727-92-4- Standard SMILES
COC(=O)COc1cccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1- InChIKey
HJGKISQKZPUGBC-UHFFFAOYSA-N- Molecular formula
- C25H25N3O6S
- Average molar mass
- 495.5 g/mol
- Monoisotopic mass
- 495.1464067
Names & identifiers
- Preferred name
- methyl 2-[3-[[[2-[N-(benzenesulfonyl)-4-methylanilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
- IUPAC
- methyl 2-[3-[[[2-[N-(benzenesulfonyl)-4-methylanilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
Names & synonyms
5727-92-4methyl 2-[3-[[[2-[N-(benzenesulfonyl)-4-methylanilino]acetyl]hydrazinylidene]methyl]phenoxy]acetateDTXSID50411263methyl {3-[(2-{[(benzenesulfonyl)(4-methylphenyl)amino]acetyl}hydrazinylidene)methyl]phenoxy}acetateMethyl {3-[(2-{[N-(4-methylphenyl)benzenesulfonamido]acetyl}hydrazinylidene)methyl]phenoxy}acetate
Database identifiers
- CAS
5727-92-4- PubChem CID
- 5223775
- DTXSID
DTXSID50411263
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 814
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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