Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(Cl)cc2/C=C2\C(=O)Nc3cc(Cl)ccc32)CC1- InChIKey
UALWIIFBPILIDX-UYRXBGFRSA-N- Molecular formula
- C24H25Cl2N3O3
- Average molar mass
- 474.4 g/mol
- Monoisotopic mass
- 473.1272971
Names & identifiers
- Preferred name
- Z-4-[4-chloro-2-(6-chloro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[4-chloro-2-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]piperazine-1-carboxylate
Names & synonyms
UALWIIFBPILIDX-UYRXBGFRSA-NZ-4-[4-chloro-2-(6-chloro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 86632079
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 745
Related reactions
1 records
Compound notes
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