Basic information
- Standard SMILES
COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4cccc5cccnc45)CC3)C(=O)C2(C)C)cc1OC- InChIKey
NOCIFZJBCKWLGO-UHFFFAOYSA-N- Molecular formula
- C27H30N4O5S
- Average molar mass
- 522.6 g/mol
- Monoisotopic mass
- 522.19369124
Names & identifiers
- Preferred name
- 5-(3,4-Dimethoxyphenyl)-4,4-dimethyl-2-[1-(quinolin-8-ylsulfonyl)piperidin-4-yl]-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrazol-3-one
Names & synonyms
SCHEMBL2328775NOCIFZJBCKWLGO-UHFFFAOYSA-N5-(3,4-Dimethoxyphenyl)-4,4-dimethyl-2-[1-(quinolin-8-ylsulfonyl)piperidin-4-yl]-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- PubChem CID
- 46202064
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 972
Related reactions
3 records
Compound notes
Loading…