Basic information
- CAS
5364-71-6- Standard SMILES
Cc1ccc(COc2ccc(Br)cc2C(=S)N2CCOCC2)cc1- InChIKey
KIFKSPRFBRAJRP-UHFFFAOYSA-N- Molecular formula
- C19H20BrNO2S
- Average molar mass
- 406.3 g/mol
- Monoisotopic mass
- 405.03981
Names & identifiers
- Preferred name
- {5-Bromo-2-[(4-methylphenyl)methoxy]phenyl}(morpholin-4-yl)methanethione
- IUPAC
- [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-morpholin-4-ylmethanethione
Names & synonyms
5364-71-6DTXSID80410789{5-Bromo-2-[(4-methylphenyl)methoxy]phenyl}(morpholin-4-yl)methanethione
Database identifiers
- CAS
5364-71-6- PubChem CID
- 5218005
- DTXSID
DTXSID80410789
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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