[4-(3,4-Dichloro-phenoxy)-[1,4']bipiperidinyl-1'-yl]-(2-methanesulfonyl-phenyl)-methanone
Basic information
- Standard SMILES
CS(=O)(=O)c1ccccc1C(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1- InChIKey
HJFXXQUQFSVCJG-UHFFFAOYSA-N- Molecular formula
- C24H28Cl2N2O4S
- Average molar mass
- 511.5 g/mol
- Monoisotopic mass
- 510.1146839
Names & identifiers
- Preferred name
- [4-(3,4-Dichloro-phenoxy)-[1,4']bipiperidinyl-1'-yl]-(2-methanesulfonyl-phenyl)-methanone
- IUPAC
- [4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2-methylsulfonylphenyl)methanone
Names & synonyms
SCHEMBL4717850HJFXXQUQFSVCJG-UHFFFAOYSA-N[4-(3,4-dichloro-phenoxy)-[1,4']bipiperidinyl-1'-yl]-(2-methanesulfonyl-phenyl)-methanone
Database identifiers
- PubChem CID
- 22397458
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 761
Related reactions
5 records
Compound notes
Loading…