2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole
Basic information
- CAS
69793-13-1- Standard SMILES
Cc1ccc(-c2cc3cc4c(cc3[nH]2)Sc2ccccc2O4)cc1- InChIKey
IGMXIYJSWPFRAD-UHFFFAOYSA-N- Molecular formula
- C21H15NOS
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.08743528
Names & identifiers
- Preferred name
- 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole
- IUPAC
- 2-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indole
Names & synonyms
NSC29651569793-13-12-(4-methylphenyl)-1H-[1,4]benzoxathiino[2,3-f]indoleDTXSID10315718NSC-2965152-(p-tolyl)-1H-[1,4]benzoxathiino[2,3-f]indole1H-[1,4]Benzoxathiino[2,3-f]indole, 2-(4-methylphenyl)-
Database identifiers
- CAS
69793-13-1- PubChem CID
- 326173
- DTXSID
DTXSID10315718
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
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Compound notes
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