(4-Cyclobutyl-1,4-diazepan-1-yl)-[4-(4-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanone
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Basic information
- Standard SMILES
CS(=O)(=O)N1CC(Oc2ccc(F)cc2)CC1C(=O)N1CCCN(C2CCC2)CC1- InChIKey
KWQYFYUCSMMMCY-UHFFFAOYSA-N- Molecular formula
- C21H30FN3O4S
- Average molar mass
- 439.5 g/mol
Names & identifiers
- Preferred name
- (4-Cyclobutyl-1,4-diazepan-1-yl)-[4-(4-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanone
- IUPAC
- (4-cyclobutyl-1,4-diazepan-1-yl)-[4-(4-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanone
Names & synonyms
SCHEMBL4329856
Database identifiers
- PubChem CID
- 69005197
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 704
Related reactions
1 records
Compound notes
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