Basic information
- Standard SMILES
Br.O=C(O)[C@@H]1CNCCN1C(=O)N(c1ccccc1)c1cccc(Cl)c1- InChIKey
OEJKNCAHECKSLU-NTISSMGPSA-N- Molecular formula
- C18H19BrClN3O3
- Average molar mass
- 440.7 g/mol
Names & identifiers
- Preferred name
- (S)-1-[N-(3-Chlorophenyl)-N-phenylcarbamoyl]-piperazine-2-carboxylic acid hydrobromide
- IUPAC
- (2S)-1-[(3-chlorophenyl)-phenylcarbamoyl]piperazine-2-carboxylic acid;hydrobromide
Names & synonyms
SCHEMBL7378735OEJKNCAHECKSLU-NTISSMGPSA-N(S)-1-[N-(3-Chlorophenyl)-N-phenylcarbamoyl]-piperazine-2-carboxylic acid hydrobromide
Database identifiers
- PubChem CID
- 70072107
Properties
Computed structural properties
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 484
Related reactions
3 records
Compound notes
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