Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)N2CCC(N3N=C(c4ccc(OC)c(OC)c4)C(C)(C)C3=O)CC2)cc1- InChIKey
JLHVSLZYQAIRSS-UHFFFAOYSA-N- Molecular formula
- C25H31N3O6S
- Average molar mass
- 501.6 g/mol
Names & identifiers
- Preferred name
- 5-(3,4-Dimethoxyphenyl)-2-{1-[(4-methoxyphenyl)sulfonyl]piperidin-4-yl}-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 5-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4,4-dimethylpyrazol-3-one
Names & synonyms
SCHEMBL2324720JLHVSLZYQAIRSS-UHFFFAOYSA-N5-(3,4-Dimethoxyphenyl)-2-{1-[(4-methoxyphenyl)sulfonyl]piperidin-4-yl}-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- PubChem CID
- 46202063
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 885
Related reactions
3 records
Compound notes
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