4,6-Dimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),10,12,14,16-hexaene-3,5,9-trione
Basic information
- CAS
177082-73-4- Standard SMILES
Cn1c(=O)c2c3nc4ccccc4cc3c(=O)n(-c3ccccc3)c2n(C)c1=O- InChIKey
YAVHXMUZVIEWPR-UHFFFAOYSA-N- Molecular formula
- C22H16N4O3
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.12224039
Names & identifiers
- Preferred name
- 4,6-Dimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),10,12,14,16-hexaene-3,5,9-trione
- IUPAC
- 4,6-dimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),10,12,14,16-hexaene-3,5,9-trione
Names & synonyms
177082-73-44,6-Dimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),10,12,14,16-hexaene-3,5,9-trioneZINC01042005Oprea1_131322DTXSID10382960CCG-2331392,4-Dimethyl-5-phenylbenzo[b]pyrimido[4,5-h][1,6]naphthyridine-1,3,6(2H,4H,5H)-trione
Database identifiers
- CAS
177082-73-4- PubChem CID
- 2785877
- DTXSID
DTXSID10382960
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 772
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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