Basic information
- CAS
5238-16-4- Standard SMILES
COc1cc2c(cc1OC)CN1CCc3ccsc3C1C2- InChIKey
VNPPDSHBIGKVJI-UHFFFAOYSA-N- Molecular formula
- C17H19NO2S
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.11365002
Names & identifiers
- Preferred name
- 5,6-Dimethoxy-12-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7,11(15),13-pentaene
- IUPAC
- 5,6-dimethoxy-12-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7,11(15),13-pentaene
Names & synonyms
NSC3457805238-16-4DTXSID10319478NSC-3457809,10-Dimethoxy-4,7,12,12a-tetrahydro-5H-thieno[2',3':3,4]pyrido[1,2-b]isoquinoline
Database identifiers
- CAS
5238-16-4- PubChem CID
- 335609
- DTXSID
DTXSID10319478
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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