Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1- InChIKey
PNVWAULMUFOACA-UHFFFAOYSA-N- Molecular formula
- C20H28Cl2N4O3
- Average molar mass
- 443.4 g/mol
- Monoisotopic mass
- 442.1538462
Names & identifiers
- Preferred name
- Tert-butyl 3-(4-{[(3,4-dichlorophenyl)amino]carbonyl}piperazin-1-yl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL1945547PNVWAULMUFOACA-UHFFFAOYSA-Ntert-butyl 3-(4-{[(3,4-dichlorophenyl)amino]carbonyl}piperazin-1-yl)pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 57656740
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 593
Related reactions
5 records
Compound notes
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