1-[4-(2-Naphthylsulfonyl)piperidin-1-yl]isoquinoline
Basic information
- Standard SMILES
O=S(=O)(c1ccc2ccccc2c1)C1CCN(c2nccc3ccccc23)CC1- InChIKey
UCMGMGRXYUUJFX-UHFFFAOYSA-N- Molecular formula
- C24H22N2O2S
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.14019912
Names & identifiers
- Preferred name
- 1-[4-(2-Naphthylsulfonyl)piperidin-1-yl]isoquinoline
- IUPAC
- 1-(4-naphthalen-2-ylsulfonylpiperidin-1-yl)isoquinoline
Names & synonyms
SCHEMBL3219594UCMGMGRXYUUJFX-UHFFFAOYSA-N1-[4-(2-naphthylsulfonyl)piperidin-1-yl]isoquinoline
Database identifiers
- PubChem CID
- 68554196
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 652
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…