Basic information
- Standard SMILES
COc1ccc(-c2cc(N3CCN(C(=O)c4cc(S(N)(=O)=O)c(Cl)cc4Cl)CC3)nc(C)n2)cc1OC- InChIKey
HJHVSFSNYZEGEN-UHFFFAOYSA-N- Molecular formula
- C24H25Cl2N5O5S
- Average molar mass
- 566.5 g/mol
Names & identifiers
- Preferred name
- 4-[4-(2,4-Dichloro-5-sulfamoylbenzoyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)-2-methylpyrimidine
- IUPAC
- 2,4-dichloro-5-[4-[6-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]benzenesulfonamide
Names & synonyms
SCHEMBL10685471HJHVSFSNYZEGEN-UHFFFAOYSA-N4-[4-(2,4-dichloro-5-sulfamoylbenzoyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)-2-methylpyrimidine
Database identifiers
- PubChem CID
- 20152298
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 887
Related reactions
2 records
Compound notes
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