12-Thia-1,2,10,14-tetrazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-4,6,8,10,13,15,17,19-octaene-3,21-dione
Basic information
- CAS
81559-83-3- Standard SMILES
O=c1c2ccccc2nc2sc3nc4ccccc4c(=O)n3n12- InChIKey
ODPZHWIKNIZNGO-UHFFFAOYSA-N- Molecular formula
- C16H8N4O2S
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.03679668
Names & identifiers
- Preferred name
- 12-Thia-1,2,10,14-tetrazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-4,6,8,10,13,15,17,19-octaene-3,21-dione
- IUPAC
- 12-thia-1,2,10,14-tetrazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-4,6,8,10,13,15,17,19-octaene-3,21-dione
Names & synonyms
NSC36265981559-83-3DTXSID30320642NSC-36265912-Thia-5a,5b,11,13-tetraaza-dibenzo[b,h]fluorene-5,6-dione12H,15H-[1,3,4]Thiadiazolo[2,3-b:5,4-b']diquinazoline-12,15-dione12h,15h-1,3,4-thiadiazolo[2,3-b:5,4-b']diquinazoline-12,15-dione
Database identifiers
- CAS
81559-83-3- PubChem CID
- 338753
- DTXSID
DTXSID30320642
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 592
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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