Basic information
- Standard SMILES
COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)C(=O)C2(C)C)cc1OC- InChIKey
JVPMQAQMIRUYCN-UHFFFAOYSA-N- Molecular formula
- C28H37N3O5S
- Average molar mass
- 527.7 g/mol
- Monoisotopic mass
- 527.24539246
Names & identifiers
- Preferred name
- 2-{1-[(4-tert-Butylphenyl)sulfonyl]piperidin-4-yl}-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 2-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-5-(3,4-dimethoxyphenyl)-4,4-dimethylpyrazol-3-one
Names & synonyms
SCHEMBL2325525JVPMQAQMIRUYCN-UHFFFAOYSA-N2-{1-[(4-tert-Butylphenyl)sulfonyl]piperidin-4-yl}-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- PubChem CID
- 46202062
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 951
Related reactions
3 records
Linked notes
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