N-(4-bromophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Basic information
- CAS
6188-44-9- Standard SMILES
COc1cc2c(cc1OC)C(COc1ccc(F)cc1)N(C(=S)Nc1ccc(Br)cc1)CC2- InChIKey
KFYWOTFJWRNRHZ-UHFFFAOYSA-N- Molecular formula
- C25H24BrFN2O3S
- Average molar mass
- 531.4 g/mol
- Monoisotopic mass
- 530.0675
Names & identifiers
- Preferred name
- N-(4-bromophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
- IUPAC
- N-(4-bromophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Names & synonyms
CID 52018636188-44-9N-(4-bromophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamideN-(4-bromophenyl)-1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamideN-(4-bromophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamideOprea1_488459DTXSID50409569AKOS001496038AKOS022029540F0574-0180N-(4-BROMOPHENYL)-1-[(4-FLUOROPHENOXY)METHYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-2-CARBOTHIOAMIDE
Database identifiers
- CAS
6188-44-9- PubChem CID
- 5201863
- DTXSID
DTXSID50409569
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 631
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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