4-((2-Chlorobenzyl)thio)-6,7-dimethoxycinnoline
Basic information
- CAS
5387-98-4- Standard SMILES
COc1cc2nncc(SCc3ccccc3Cl)c2cc1OC- InChIKey
KDYLMNMODCWKQA-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O2S
- Average molar mass
- 346.8 g/mol
- Monoisotopic mass
- 346.0542766
Names & identifiers
- Preferred name
- 4-((2-Chlorobenzyl)thio)-6,7-dimethoxycinnoline
- IUPAC
- 4-[(2-chlorophenyl)methylsulfanyl]-6,7-dimethoxycinnoline
Names & synonyms
4-((2-Chlorobenzyl)thio)-6,7-dimethoxycinnoline5387-98-4NSC661084K9JPM6VVNNSC-661084-[(2-chlorophenyl)methylsulfanyl]-6,7-dimethoxycinnolineNSC 66108UNII-4K9JPM6VVNNCIOpen2_008308DTXSID402021274-[(2-chlorophenyl)methylsulfanyl]-6,7-dimethoxy-cinnoline4-[[(2-Chlorophenyl)methyl]thio]-6,7-dimethoxycinnoline
Show more names
Cinnoline, 4-[[(2-chlorophenyl)methyl]thio]-6,7-dimethoxy-4-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-6,7-DIMETHOXYCINNOLINE
Database identifiers
- CAS
5387-98-4- PubChem CID
- 248705
- DTXSID
DTXSID40202127- UNII
- 4K9JPM6VVN
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 377
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Related reactions
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Compound notes
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