Basic information
- Standard SMILES
COc1ccc(CCN2CCC(C(=O)c3csc4ccccc34)CC2)cc1- InChIKey
ZXRMCDGFJPERTR-UHFFFAOYSA-N- Molecular formula
- C23H25NO2S
- Average molar mass
- 379.5 g/mol
Names & identifiers
- Preferred name
- [Benzo[b]thiophene-3-yl][1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]methanone
- IUPAC
- 1-benzothiophen-3-yl-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanone
Names & synonyms
SCHEMBL7838937ZXRMCDGFJPERTR-UHFFFAOYSA-N[Benzo[b ]thiophene-3-yl][1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]methanone[Benzo[b]thiophene-3-yl][1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]methanone
Database identifiers
- PubChem CID
- 9799982
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 483
Related reactions
4 records
Compound notes
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