Basic information
- Standard SMILES
Cc1cnc(N2CCN(C(=O)c3ccc(Br)cc3N(C)S(C)(=O)=O)CC2)c(C)c1- InChIKey
CKASMHFIVUERFT-UHFFFAOYSA-N- Molecular formula
- C20H25BrN4O3S
- Average molar mass
- 481.4 g/mol
- Monoisotopic mass
- 480.08307
Names & identifiers
- Preferred name
- N-{5-bromo-2-[4-(3,5-dimethylpyridin-2-yl)piperazine-1-carbonyl]phenyl}-N-methylmethanesulfonamide
- IUPAC
- N-[5-bromo-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide
Names & synonyms
SCHEMBL14686892CKASMHFIVUERFT-UHFFFAOYSA-NN-{5-bromo-2-[4-(3,5-dimethylpyridin-2-yl)piperazine-1-carbonyl]phenyl}-N-methylmethanesulfonamide
Database identifiers
- PubChem CID
- 71252240
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 678
Related reactions
3 records
Compound notes
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