[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate
Basic information
- CAS
730938-86-0- Standard SMILES
O=C(COC(=O)CCc1ccccc1)NNC(=O)c1ccccc1- InChIKey
KTTHXKBIZYJIHS-UHFFFAOYSA-N- Molecular formula
- C18H18N2O4
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.12665706
Names & identifiers
- Preferred name
- [2-(2-Benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate
- IUPAC
- [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate
Names & synonyms
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoateMLS002248962CHEMBL3183886DTXSID701331037HMS3081O15AKOS033602616730938-86-0SMR0013164172-(2-Benzoylhydrazinyl)-2-oxoethyl 3-phenylpropanoateZ18263496
Database identifiers
- CAS
730938-86-0- PubChem CID
- 2416248
- DTXSID
DTXSID701331037- ChEMBL
CHEMBL3183886
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 427
Experimental & physicochemical properties
Solubility33.1 [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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