Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1- InChIKey
RNFFEGQWECEKAQ-UHFFFAOYSA-N- Molecular formula
- C18H17N3O3S
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.09906259
Names & identifiers
- Preferred name
- 1-Isoquinolin-5-yl-3-[(4-methylsulfonylphenyl)methyl]urea
- IUPAC
- 1-isoquinolin-5-yl-3-[(4-methylsulfonylphenyl)methyl]urea
Names & synonyms
SCHEMBL4020806
Database identifiers
- PubChem CID
- 10428282
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 552
Related reactions
1 records
Compound notes
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