Basic information
- CAS
52165-40-9- Standard SMILES
CN1OC2(CCCCC2)n2c(=O)c3ccccc3c(=O)n2C1c1ccccc1- InChIKey
FWWVWEUNDFFHFP-UHFFFAOYSA-N- Molecular formula
- C22H23N3O3
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.1739416
Names & identifiers
- Preferred name
- 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthalazine-1,1'-cyclohexane]-6,11-dione
- IUPAC
- 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthalazine-1,1'-cyclohexane]-6,11-dione
Names & synonyms
NSC26083052165-40-9DTXSID00312731NSC-2608303'-Methyl-4'-phenyl-3',4'-dihydrospiro[cyclohexane-1,1'-[1,2,4,5]oxatriazino[4,5-b]phthalazine]-6',11'-dione
Database identifiers
- CAS
52165-40-9- PubChem CID
- 319166
- DTXSID
DTXSID00312731
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 627
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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