Basic information
- Standard SMILES
COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)N2CCC(CCN3CCCC3)CC2)c(C)c1- InChIKey
KLQDJZKFAIJFSQ-UHFFFAOYSA-N- Molecular formula
- C27H43N3O5S
- Average molar mass
- 521.7 g/mol
Names & identifiers
- Preferred name
- 2-((1-(4-Methoxy-2,6-dimethylphenylsulfonyl)pyrrolidin-2-yl)methoxy)-1-(4-(2-(pyrrolidin-1-yl)ethyl)piperidin-1-yl)ethanone
- IUPAC
- 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
Names & synonyms
SCHEMBL2566397KLQDJZKFAIJFSQ-UHFFFAOYSA-N2-((1-(4-methoxy-2,6-dimethylphenylsulfonyl)pyrrolidin-2-yl)methoxy)-1-(4-(2-(pyrrolidin-1-yl)ethyl)piperidin-1-yl)ethanone
Database identifiers
- PubChem CID
- 59746448
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 793
Related reactions
2 records
Compound notes
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