Ethanesulfonic acid {trans-4-[2-(4-furo[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
Basic information
- Standard SMILES
CCS(=O)(=O)NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1- InChIKey
KNWOHCMLVYZTJW-UHFFFAOYSA-N- Molecular formula
- C21H32N4O3S
- Average molar mass
- 420.6 g/mol
- Monoisotopic mass
- 420.21951207
Names & identifiers
- Preferred name
- Ethanesulfonic acid {trans-4-[2-(4-furo[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
- IUPAC
- N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]ethanesulfonamide
Names & synonyms
CHEMBL3642694SCHEMBL12073709KNWOHCMLVYZTJW-IYARVYRRSA-NBDBM106427US8586579, 16Ethanesulfonic acid {trans-4-[2-(4-furo[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
Database identifiers
- PubChem CID
- 54770167
- ChEMBL
CHEMBL3642694
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 610
Related reactions
1 records
Compound notes
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