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Basic information
- Standard SMILES
CCn1cnc2c(-c3ccc(O)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21- InChIKey
UOVHUSUBZVIFIM-UHFFFAOYSA-N- Molecular formula
- C22H22N4O4S
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.13617637
Names & identifiers
- Preferred name
- 5-(7-Ethyl-7H-imidazo[4,5-c]pyridazin-4-yl)-4'-(ethylsulfonyl)-2'-methoxy-[1,1'-biphenyl]-2-ol
- IUPAC
- 4-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-(4-ethylsulfonyl-2-methoxyphenyl)phenol
Names & synonyms
CHEMBL3647558SCHEMBL15794307UOVHUSUBZVIFIM-UHFFFAOYSA-NBDBM144249US8952008, 485-(7-Ethyl-7H-imidazo[4,5-c]pyridazin-4-yl)-4'-(ethylsulfonyl)-2'-methoxy-[1,1'-biphenyl]-2-ol
Database identifiers
- PubChem CID
- 136348404
- ChEMBL
CHEMBL3647558
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 702
Related reactions
1 records
Compound notes
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