Basic information
- Standard SMILES
CN1CCN(C(=O)CCCc2ccc(Cl)c(CC3CCN(C4CCCCC4)C3=O)c2F)CC1- InChIKey
ACDZPNJIUBSWNZ-UHFFFAOYSA-N- Molecular formula
- C26H37ClFN3O2
- Average molar mass
- 478 g/mol
- Monoisotopic mass
- 477.2558333
Names & identifiers
- Preferred name
- 3-{6-Chloro-2-fluoro-3-[4-(4-methyl-piperazin-1-yl)-4-oxo-butyl]-benzyl}-1-cyclohexyl-pyrrolidin-2-one
- IUPAC
- 3-[[6-chloro-2-fluoro-3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]phenyl]methyl]-1-cyclohexylpyrrolidin-2-one
Names & synonyms
SCHEMBL2991606ACDZPNJIUBSWNZ-UHFFFAOYSA-N3-{6-Chloro-2-fluoro-3-[4-(4-methyl-piperazin-1-yl)-4-oxo-butyl]-benzyl}-1-cyclohexyl-pyrrolidin-2-one
Database identifiers
- PubChem CID
- 11684379
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 666
Related reactions
2 records
Compound notes
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