Basic information
- Standard SMILES
CCCCc1ccc(C(=O)N2CCC(n3c(S(C)(=O)=O)nc4ccccc43)CC2)cc1- InChIKey
TXTIMCGPWFZXFM-UHFFFAOYSA-N- Molecular formula
- C24H29N3O3S
- Average molar mass
- 439.6 g/mol
Names & identifiers
- Preferred name
- (4-Butyl-phenyl)-[4-(2-methanesulfonyl-benzoimidazol-1-yl)-piperidin-1-yl]-methanone
- IUPAC
- (4-butylphenyl)-[4-(2-methylsulfonylbenzimidazol-1-yl)piperidin-1-yl]methanone
Names & synonyms
SCHEMBL4918390TXTIMCGPWFZXFM-UHFFFAOYSA-N(4-butyl-phenyl)-[4-(2-methanesulfonyl-benzoimidazol-1-yl)-piperidin-1-yl]-methanone
Database identifiers
- PubChem CID
- 69240993
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 706
Related reactions
2 records
Compound notes
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