Basic information
- Standard SMILES
CCNC(=O)NC1CCCc2c(-c3ccc(C#N)cc3)cncc21- InChIKey
YRBGLUPNFWHETI-UHFFFAOYSA-N- Molecular formula
- C19H20N4O
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.16371127
Names & identifiers
- Preferred name
- (rac)-1-(4-(4-Cyanophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl)-3-ethylurea
- IUPAC
- 1-[4-(4-cyanophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]-3-ethylurea
Names & synonyms
CHEMBL3973147SCHEMBL15312199YRBGLUPNFWHETI-UHFFFAOYSA-NBDBM191879US9187429, 4(rac)-1-(4-(4-Cyanophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl)-3-ethylurea
Database identifiers
- PubChem CID
- 89846368
- ChEMBL
CHEMBL3973147
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 477
Related reactions
1 records
Compound notes
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