Basic information
- CAS
25506-01-8- Standard SMILES
Cc1onc2c(=O)n(-c3ccccc3)nc(-c3ccccc3)c12- InChIKey
JXQJWJVSXBROGH-UHFFFAOYSA-N- Molecular formula
- C18H13N3O2
- Average molar mass
- 303.3 g/mol
- Monoisotopic mass
- 303.10077667
Names & identifiers
- Preferred name
- Isoxazolo(3,4-d)pyridazin-7(6H)-one, 4,6-diphenyl-3-methyl-
- IUPAC
- 3-methyl-4,6-diphenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
- English name
- 4,6-Diphenyl-3-methylisoxazolo[3,4-d]pyridazin-7(6H)-one
- Molecular formula
- C18H13N3O2
- Molecular weight
- 303.31
Names & synonyms
25506-01-8ISOXAZOLO(3,4-d)PYRIDAZIN-7(6H)-ONE, 4,6-DIPHENYL-3-METHYL-BRN 11462024,6-Diphenyl-3-methylisoxazolo(3,4-d)pyridazin-7(6H)-one3-Metil-4,6-difenilisossazolo(3,4-d)piridazin-7-one [Italian]DTXSID401801983-Metil-4,6-difenilisossazolo(3,4-d)piridazin-7-oneRefChem:350276DTXCID501026893-methyl-4,6-diphenyl-[1,2]oxazolo[3,4-d]pyridazin-7-oneHMS546H16Maybridge1_001754
Show more names
3-methyl-4,6-diphenyl-6H-isoxazolo[3,4-d]pyridazin-7-one4,6-Diphenyl-3-methylisoxazolo[3,4-d]pyridazin-7(6H)-oneIsoxazolo[3,4-d]pyridazin-7(6H)-one, 3-methyl-4,6-diphenyl-
Oprea1_766383MLS000851059CHEMBL1411655HMS2796F11BTB 09043CCG-42372NCGC00246657-01SMR000457302
Database identifiers
- CAS
25506-01-8
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 481
Experimental & physicochemical properties
Solubility27.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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