Basic information
- Standard SMILES
Cc1cc2c(NC(=O)NCc3ccc(C)c(C)c3)cccc2cn1- InChIKey
OAPAJPDGVALTKJ-UHFFFAOYSA-N- Molecular formula
- C20H21N3O
- Average molar mass
- 319.4 g/mol
Names & identifiers
- Preferred name
- N-(3,4-dimethylbenzyl)-N'-(3-methyl-5-isoquinolinyl)urea
- IUPAC
- 1-[(3,4-dimethylphenyl)methyl]-3-(3-methylisoquinolin-5-yl)urea
Names & synonyms
SCHEMBL4022844OAPAJPDGVALTKJ-UHFFFAOYSA-NN-(3,4-dimethylbenzyl)-N'-(3-methyl-5-isoquinolinyl)urea
Database identifiers
- PubChem CID
- 9996072
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 427
Related reactions
4 records
Compound notes
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