Basic information
- Standard SMILES
COC(=O)c1ccccc1S(=O)(=O)N1CCC(N2N=C(c3ccc(OC)c(OC)c3)C(C)(C)C2=O)CC1- InChIKey
ZYHGWTRFQOGZCQ-UHFFFAOYSA-N- Molecular formula
- C26H31N3O7S
- Average molar mass
- 529.6 g/mol
Names & identifiers
- Preferred name
- Methyl 2-({4-[3-(3,4-dimethoxyphenyl)-4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]piperidin-1-yl}sulfonyl)benzoate
- IUPAC
- methyl 2-[4-[3-(3,4-dimethoxyphenyl)-4,4-dimethyl-5-oxopyrazol-1-yl]piperidin-1-yl]sulfonylbenzoate
Names & synonyms
SCHEMBL2322154ZYHGWTRFQOGZCQ-UHFFFAOYSA-NMethyl 2-({4-[3-(3,4-dimethoxyphenyl)-4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]piperidin-1-yl}sulfonyl)benzoate
Database identifiers
- PubChem CID
- 46189879
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 985
Related reactions
3 records
Linked notes
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