2,5-dimethyl-N'-(2-phenylpentanoyl)furan-3-carbohydrazide
Basic information
- CAS
852958-00-0- Standard SMILES
CCCC(C(=O)NNC(=O)c1cc(C)oc1C)c1ccccc1- InChIKey
FMTQVUIBSJGEBK-UHFFFAOYSA-N- Molecular formula
- C18H22N2O3
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.16304257
Names & identifiers
- Preferred name
- 2,5-dimethyl-N'-(2-phenylpentanoyl)furan-3-carbohydrazide
- IUPAC
- 2,5-dimethyl-N'-(2-phenylpentanoyl)furan-3-carbohydrazide
Names & synonyms
2,5-dimethyl-N'-(2-phenylpentanoyl)furan-3-carbohydrazideMLS002245668CHEMBL1714259DTXSID901321606HMS3095C15AKOS034192170852958-00-0SMR001309310Z32992829
Database identifiers
- CAS
852958-00-0- PubChem CID
- 4355478
- DTXSID
DTXSID901321606- ChEMBL
CHEMBL1714259
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Experimental & physicochemical properties
Solubility22.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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