Basic information
- Standard SMILES
COc1cc(N2CCN(C(=O)Cn3nc(C)c(Cl)c3Br)C(C)C2)ccc1Cl- InChIKey
KCRNHPUQXKSJGI-UHFFFAOYSA-N- Molecular formula
- C18H21BrCl2N4O2
- Average molar mass
- 476.2 g/mol
- Monoisotopic mass
- 474.02249
Names & identifiers
- Preferred name
- 2-(5-Bromo-4-chloro-3-methylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone
- IUPAC
- 2-(5-bromo-4-chloro-3-methylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone
Names & synonyms
SCHEMBL2873687
Database identifiers
- PubChem CID
- 68423799
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 532
Related reactions
1 records
Compound notes
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