Basic information
- CAS
67768-36-9- Standard SMILES
Cc1cc(=O)[nH]c2c3sc4ccccc4c(=O)c3c3ccccc3c12- InChIKey
MAHZIQZLMQBRQB-UHFFFAOYSA-N- Molecular formula
- C21H13NO2S
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.06669983
Names & identifiers
- Preferred name
- 6-Methyl-22-thia-3-azapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(14),2(7),5,8,10,12,16,18,20-nonaene-4,15-dione
- IUPAC
- 6-methyl-22-thia-3-azapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(14),2(7),5,8,10,12,16,18,20-nonaene-4,15-dione
Names & synonyms
67768-36-9AC1MSW0MDTXSID40393468NSC343751NSC-3437514-Methyl-1H-benzo[f][1]benzothiopyrano[3,2-h]quinoline-2,9-dione
Database identifiers
- CAS
67768-36-9- PubChem CID
- 3540971
- DTXSID
DTXSID40393468
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 629
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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