Basic information
- Standard SMILES
COc1nnc(-c2cc(C)c(O)c(C)c2)cc1-c1[nH]c2ccccc2c1C- InChIKey
MTJNLQUBHUJRME-UHFFFAOYSA-N- Molecular formula
- C22H21N3O2
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.16337692
Names & identifiers
- Preferred name
- 4-[6-Methoxy-5-(3-methyl-1H-indol-2-yl)-pyridazin-3-yl]-2,6-dimethyl-phenol
- IUPAC
- 4-[6-methoxy-5-(3-methyl-1H-indol-2-yl)pyridazin-3-yl]-2,6-dimethylphenol
Names & synonyms
SCHEMBL1749941MTJNLQUBHUJRME-UHFFFAOYSA-N4-[6-Methoxy-5-(3-methyl-1H-indol-2-yl) -pyridazin-3-yl]-2,6-dimethyl-phenol4-[6-Methoxy-5-(3-methyl-1H-indol-2-yl)-pyridazin-3-yl]-2,6-dimethyl-phenol
Database identifiers
- PubChem CID
- 136339634
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 492
Related reactions
6 records
Compound notes
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