Basic information
- CAS
83515-29-1- Standard SMILES
Cc1cccc2c3nn4c(-c5ccccc5)csc4nc-3nc12- InChIKey
IZZYGLMLKLSOGC-UHFFFAOYSA-N- Molecular formula
- C18H12N4S
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.07826757
Names & identifiers
- Preferred name
- 9-Methyl-3-phenylthiazolo[3a(2),2a(2):2,3][1,2,4]triazino[5,6-b]indole
- IUPAC
- 6-methyl-14-phenyl-12-thia-8,10,15,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,8,10,13-heptaene
Names & synonyms
DTXSID30117296083515-29-19-Methyl-3-phenyl[1,3]thiazolo[3',2':2,3][1,2,4]triazino[5,6-b]indole9-Methyl-3-phenylthiazolo[3a(2),2a(2):2,3][1,2,4]triazino[5,6-b]indole
Database identifiers
- CAS
83515-29-1- PubChem CID
- 15580368
- DTXSID
DTXSID301172960
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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