Basic information
- Standard SMILES
COC[C@H](C)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2ccn(C)n2)c1- InChIKey
QYZBSTGXGUGKGJ-HNNXBMFYSA-N- Molecular formula
- C22H25N3O6S
- Average molar mass
- 459.5 g/mol
- Monoisotopic mass
- 459.1464067
Names & identifiers
- Preferred name
- 3-[(1S)-2-methoxy-1-methylethoxy]-N-(1-methyl-1H-pyrazol-3-yl)-5-[4-(methylsulfonyl)phenoxy]benzamide
- IUPAC
- 3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)benzamide
Names & synonyms
SCHEMBL1146868QYZBSTGXGUGKGJ-HNNXBMFYSA-N3-[(1S)-2-methoxy-1-methylethoxy]-N-(1-methyl-1H-pyrazol-3-yl)-5-[4-(methylsulfonyl)phenoxy]benzamide
Database identifiers
- PubChem CID
- 11619527
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 707
Related reactions
2 records
Compound notes
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