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Basic information
- Standard SMILES
Cn1nnnc1-c1cccc(NC(=O)NCC2CCCN(C(=O)C(C)(C)Cc3ccc(F)cc3)C2)c1- InChIKey
KNBODLCWWJJEEU-UHFFFAOYSA-N- Molecular formula
- C26H32FN7O2
- Average molar mass
- 493.6 g/mol
Names & identifiers
- Preferred name
- 1-{1-[3-(4-fluorophenyl)-2,2-dimethylpropionyl]-piperidin-3-ylmethyl}-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
- IUPAC
- 1-[[1-[3-(4-fluorophenyl)-2,2-dimethylpropanoyl]piperidin-3-yl]methyl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
Names & synonyms
SCHEMBL6304197KNBODLCWWJJEEU-UHFFFAOYSA-N1-{1-[3-(4-Fluorophenyl)-2,2-dimethylpropionyl]-piperidin-3-ylmethyl }-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea1-{1-[3-(4-fluorophenyl)-2,2-dimethylpropionyl]-piperidin-3-ylmethyl}-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
Database identifiers
- PubChem CID
- 69736352
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 746
Related reactions
4 records
Compound notes
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