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Basic information
- Standard SMILES
CC1CCN(CCc2ccc(F)cc2)CC1CNC(=O)Nc1cccc(-c2nnnn2C)c1- InChIKey
ZFRFSQHTEBXSEE-UHFFFAOYSA-N- Molecular formula
- C24H30FN7O
- Average molar mass
- 451.5 g/mol
Names & identifiers
- Preferred name
- 1-[[1-[2-(4-Fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methyl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
- IUPAC
- 1-[[1-[2-(4-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methyl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
Names & synonyms
SCHEMBL6303792
Database identifiers
- PubChem CID
- 69736263
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 618
Related reactions
1 records
Compound notes
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