N'-(trans-4{[4-(furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}cyclohexyl)-N,N-dimethylsulfamide
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Basic information
- Standard SMILES
CN(C)S(=O)(=O)NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1- InChIKey
UJBLYPURSDWDKF-UHFFFAOYSA-N- Molecular formula
- C21H33N5O3S
- Average molar mass
- 435.6 g/mol
Names & identifiers
- Preferred name
- N'-(trans-4{[4-(furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}cyclohexyl)-N,N-dimethylsulfamide
- IUPAC
- 4-[4-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperazin-1-yl]furo[3,2-c]pyridine
Names & synonyms
SCHEMBL1698538CHEMBL3642695UJBLYPURSDWDKF-IYARVYRRSA-NBDBM106428US8586579, 17N'-(trans-4{[4-(furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}cyclohexyl)-N,N-dimethylsulfamide
Database identifiers
- PubChem CID
- 54770168
- ChEMBL
CHEMBL3642695
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 640
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Related reactions
1 records
Compound notes
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