Basic information
- CAS
303131-86-4- Standard SMILES
Cc1ccsc1/C=N/NC(=O)C1C(=O)NCC1c1ccccc1- InChIKey
HMTQWEGPJYVDEQ-VXLYETTFSA-N- Molecular formula
- C17H17N3O2S
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.10414797
Names & identifiers
- Preferred name
- N'-[(E)-(3-methylthiophen-2-yl)methylidene]-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
- IUPAC
- N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
Names & synonyms
N'-[(E)-(3-methylthiophen-2-yl)methylidene]-2-oxo-4-phenylpyrrolidine-3-carbohydrazideMLS000780426CHEMBL1990221DTXSID801322849STK375093AKOS005447983303131-86-4SMR000424729(E)-N'-((3-methylthiophen-2-yl)methylene)-2-oxo-4-phenylpyrrolidine-3-carbohydrazideN-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide2-Oxo-4-phenyl-pyrrolidine-3-carboxylic acid [1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-hydrazide
Database identifiers
- CAS
303131-86-4- PubChem CID
- 9608540
- DTXSID
DTXSID801322849- ChEMBL
CHEMBL1990221
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 476
Experimental & physicochemical properties
Solubility30.7 [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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