Basic information
- Standard SMILES
COc1ccc(CSc2ccccc2C(=O)N2CCN(Cc3ccccc3)CC2)cc1- InChIKey
DGFYMUMXKKEPIL-UHFFFAOYSA-N- Molecular formula
- C26H28N2O2S
- Average molar mass
- 432.6 g/mol
Names & identifiers
- Preferred name
- N1-(S-(4-methoxybenzyl)thiosalicyloyl)-N4-benzylpiperazine
- IUPAC
- (4-benzylpiperazin-1-yl)-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]methanone
Names & synonyms
SCHEMBL6293769DGFYMUMXKKEPIL-UHFFFAOYSA-NN1-(S-(4-methoxybenzyl)thiosalicyloyl)-N4-benzylpiperazine
Database identifiers
- PubChem CID
- 69734254
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 538
Related reactions
4 records
Compound notes
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