Basic information
- Standard SMILES
Cn1ncc2c(NC(=O)NCc3ccc(N4CCCCCC4)cc3)cccc21- InChIKey
JYHFEYSKNYVVEQ-UHFFFAOYSA-N- Molecular formula
- C22H27N5O
- Average molar mass
- 377.5 g/mol
Names & identifiers
- Preferred name
- N-[4-(1-azepanyl)benzyl]-N'-(1-methyl-1H-indazol-4-yl)urea
- IUPAC
- 1-[[4-(azepan-1-yl)phenyl]methyl]-3-(1-methylindazol-4-yl)urea
Names & synonyms
SCHEMBL4022120JYHFEYSKNYVVEQ-UHFFFAOYSA-NN-[4-(1-azepanyl)benzyl]-N'-(1-methyl-1H-indazol-4-yl)urea
Database identifiers
- PubChem CID
- 22337694
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 499
Related reactions
4 records
Compound notes
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