Basic information
- Standard SMILES
CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2cc(Cl)cc(Cl)c2)C(C(=O)O)C1- InChIKey
ZBLQPUHGBGLEJS-UHFFFAOYSA-N- Molecular formula
- C29H38Cl2N4O4
- Average molar mass
- 577.5 g/mol
- Monoisotopic mass
- 576.2270111
Names & identifiers
- Preferred name
- 1-[(3,5-Dichlorophenyl)-phenylcarbamoyl]-4-(dipentylcarbamoyl)piperazine-2-carboxylic acid
- IUPAC
- 1-[(3,5-dichlorophenyl)-phenylcarbamoyl]-4-(dipentylcarbamoyl)piperazine-2-carboxylic acid
Names & synonyms
SCHEMBL9307683
Database identifiers
- PubChem CID
- 19004130
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 777
Related reactions
2 records
Compound notes
Loading…