N-(4-Bromophenyl)-2-{[4-cyano-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-3-isoquinolinyl]sulfanyl}acetamide
Basic information
- CAS
401844-00-6- Standard SMILES
COc1cc(-c2nc(SCC(=O)Nc3ccc(Br)cc3)c(C#N)c3c2CCCC3)cc(OC)c1OC- InChIKey
ROTHUEHTGJVHMM-UHFFFAOYSA-N- Molecular formula
- C27H26BrN3O4S
- Average molar mass
- 568.5 g/mol
- Monoisotopic mass
- 567.08274
Names & identifiers
- Preferred name
- N-(4-Bromophenyl)-2-{[4-cyano-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-3-isoquinolinyl]sulfanyl}acetamide
- IUPAC
- N-(4-bromophenyl)-2-[[4-cyano-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl]acetamide
Names & synonyms
STK788490AKOS005610748N-(4-bromophenyl)-2-((4-cyano-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)acetamideN-(4-BROMOPHENYL)-2-{[4-CYANO-1-(3,4,5-TRIMETHOXYPHENYL)-5,6,7,8-TETRAHYDRO-3-ISOQUINOLINYL]SULFANYL}ACETAMIDEN-(4-bromophenyl)-2-{[4-cyano-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetamide
Database identifiers
- CAS
401844-00-6- PubChem CID
- 978807
- EC Number
- 144-805-6
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 759
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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