2-(4-chlorophenyl)-1H-[1,4]benzoxathiino[2,3-f]indole
Basic information
- CAS
69793-16-4- Standard SMILES
Clc1ccc(-c2cc3cc4c(cc3[nH]2)Sc2ccccc2O4)cc1- InChIKey
OMMHSBIIZIGRON-UHFFFAOYSA-N- Molecular formula
- C20H12ClNOS
- Average molar mass
- 349.8 g/mol
- Monoisotopic mass
- 349.0328129
Names & identifiers
- Preferred name
- 2-(4-chlorophenyl)-1H-[1,4]benzoxathiino[2,3-f]indole
- IUPAC
- 2-(4-chlorophenyl)-1H-[1,4]benzoxathiino[2,3-f]indole
Names & synonyms
69793-16-42-(4-chlorophenyl)-1H-[1,4]benzoxathiino[2,3-f]indoleNSC296516DTXSID70315719NSC-296516
Database identifiers
- CAS
69793-16-4- PubChem CID
- 326174
- DTXSID
DTXSID70315719
Properties
Computed structural properties
- XLogP
- 6
- 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
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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