3,4,5-trimethoxy-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide
Basic information
- CAS
785799-53-3- Standard SMILES
COc1cc(C(=O)NNC(=O)CCOc2ccccc2C)cc(OC)c1OC- InChIKey
HIKPHSMJUBZCPP-UHFFFAOYSA-N- Molecular formula
- C20H24N2O6
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.16343649
Names & identifiers
- Preferred name
- 3,4,5-trimethoxy-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide
- IUPAC
- 3,4,5-trimethoxy-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide
Names & synonyms
3,4,5-trimethoxy-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazideMLS002248866CHEMBL1720847DTXSID201325326HMS3095D18AKOS033987435785799-53-3SMR001316324Z27042032
Database identifiers
- CAS
785799-53-3- PubChem CID
- 2437800
- DTXSID
DTXSID201325326- ChEMBL
CHEMBL1720847
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 489
Experimental & physicochemical properties
Solubility33.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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