Basic information
- CAS
459419-22-8- Standard SMILES
O=C1C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1- InChIKey
KMYBXHGUMMVSKW-UHFFFAOYSA-N- Molecular formula
- C21H20ClN3O2
- Average molar mass
- 381.9 g/mol
- Monoisotopic mass
- 381.1244046
Names & identifiers
- Preferred name
- 3-(4-benzylpiperazin-1-yl)-4-chloro-1-phenyl-1H-pyrrole-2,5-dione
- IUPAC
- 3-(4-benzylpiperazin-1-yl)-4-chloro-1-phenylpyrrole-2,5-dione
Names & synonyms
3-(4-benzylpiperazin-1-yl)-4-chloro-1-phenyl-1H-pyrrole-2,5-dioneSMR000037603MLS000078524459419-22-8MLS002582075CHEMBL1528937DTXSID301146664HMS2182O24STK545913AKOS002252365ST501958183-chloro-1-phenyl-4-[4-benzylpiperazinyl]azoline-2,5-dione
Show more names
3-Chloro-1-phenyl-4-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2,5-dione
Database identifiers
- CAS
459419-22-8- PubChem CID
- 660360
- DTXSID
DTXSID301146664- ChEMBL
CHEMBL1528937
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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