Basic information
- Standard SMILES
C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O- InChIKey
VOPMTVQABGBEPZ-VQTJNVASSA-N- Molecular formula
- C30H29ClFN3O4
- Average molar mass
- 550 g/mol
Names & identifiers
- Preferred name
- 2-(5-chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-benzyl)-isoindole-1,3-dione
- IUPAC
- 2-[[5-chloro-2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]methyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL6076312VOPMTVQABGBEPZ-VQTJNVASSA-N2-(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2- oxo-ethoxy}-benzyl)-isoindole-1,3-dione2-(5-chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-benzyl)-isoindole-1,3-dione
Database identifiers
- PubChem CID
- 69655404
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 875
Related reactions
2 records
Compound notes
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