(R)-1-[4-(7-Dimethylsulfamoyl-3,4-dihydro-1H-isoquinoline-2-yl)-pyrimidin-2-yl]-ethyl acetate
Basic information
- Standard SMILES
CC(=O)O[C@H](C)c1nccc(N2CCc3ccc(S(=O)(=O)N(C)C)cc3C2)n1- InChIKey
SYHSGLMXLIJMKI-CYBMUJFWSA-N- Molecular formula
- C19H24N4O4S
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.15182643
Names & identifiers
- Preferred name
- (R)-1-[4-(7-Dimethylsulfamoyl-3,4-dihydro-1H-isoquinoline-2-yl)-pyrimidin-2-yl]-ethyl acetate
- IUPAC
- [(1R)-1-[4-[7-(dimethylsulfamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-yl]ethyl] acetate
Names & synonyms
SCHEMBL6298838SYHSGLMXLIJMKI-CYBMUJFWSA-N(R)-1-[4-(7-dimethylsulfamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrimidin-2-yl]-ethyl acetate(R)-1-[4-(7-Dimethylsulfamoyl-3,4-dihydro-1H-isoquinoline-2-yl)-pyrimidin-2-yl]-ethyl acetate
Database identifiers
- PubChem CID
- 69735145
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 651
Related reactions
10 records
Compound notes
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