Basic information
- Standard SMILES
CCCNS(=O)(=O)NC1CCCc2c(-c3ccc(C#N)cc3)cncc21- InChIKey
LRAYCCYELAJUSB-UHFFFAOYSA-N- Molecular formula
- C19H22N4O2S
- Average molar mass
- 370.5 g/mol
Names & identifiers
- Preferred name
- (rac)-N-[4-(4-Cyanophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]-N'-propylsulfuric diamide
- IUPAC
- 4-[8-(propylsulfamoylamino)-5,6,7,8-tetrahydroisoquinolin-4-yl]benzonitrile
Names & synonyms
CHEMBL3905575SCHEMBL15312125LRAYCCYELAJUSB-UHFFFAOYSA-NBDBM191878US9187429, 3(rac)-N-[4-(4-Cyanophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]-N'-propylsulfuric diamide
Database identifiers
- PubChem CID
- 71811362
- ChEMBL
CHEMBL3905575
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 601
Related reactions
1 records
Compound notes
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