Basic information
- Standard SMILES
COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCN(C3CCN(C)CC3)CC2)c(C)c1- InChIKey
LLRDYAYGXUHNPL-UHFFFAOYSA-N- Molecular formula
- C27H44N4O5S
- Average molar mass
- 536.7 g/mol
- Monoisotopic mass
- 536.30324169
Names & identifiers
- Preferred name
- 2-[1-(4-Methoxy-2,6-dimethyl-phenylsulfonyl)-piperidin-2-ylmethoxy]-1-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-ethanone
- IUPAC
- 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
Names & synonyms
1018820-22-8Ethanone, 2-[[1-[(4-methoxy-2,6-dimethylphenyl)sulfonyl]-2-piperidinyl]methoxy]-1-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]-2-[1-(4-methoxy-2,6-dimethyl-phenylsulfonyl)-piperidin-2-ylmethoxy]-1-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-ethanoneSCHEMBL2565310LLRDYAYGXUHNPL-UHFFFAOYSA-N2-((1-(4-methoxy-2,6-dimethylphenylsulfonyl)piperidin-2-yl)methoxy)-1-(4-(1-methylpiperidin-4-yl)piperazin-1-yl)ethanone
Database identifiers
- PubChem CID
- 24945574
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 824
Related reactions
3 records
Compound notes
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