Basic information
- Standard SMILES
COc1ccc(CN2C(=O)c3cccc(N4C[C@@H](C)N(Cc5ccccc5)[C@@H](C)C4)c3C2=O)cc1OC- InChIKey
VIKOCZCPECNUFD-OYRHEFFESA-N- Molecular formula
- C30H33N3O4
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 499.24710654
Names & identifiers
- Preferred name
- (3R,5S)-4-(4-benzyl-3,5-dimethyl-piperazin-1-yl)-2-(3,4-dimethoxy-benzyl)-isoindole-1,3-dione
- IUPAC
- 4-[(3S,5R)-4-benzyl-3,5-dimethylpiperazin-1-yl]-2-[(3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL1474448VIKOCZCPECNUFD-OYRHEFFESA-N(3R,5S)-4-(4-benzyl-3,5-dimethyl-piperazin-1-yl)-2-(3,4-dimethoxy-benzyl)-isoindole-1,3-dione
Database identifiers
- PubChem CID
- 58296018
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 790
Related reactions
3 records
Compound notes
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