1-{(3S,4S)-4-[(S)-3-(4-fluorobenzyl)-piperidin-1-ylmethyl]-tetrahydro-pyran-3-yl}-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
Basic information
- Standard SMILES
Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2COCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1- InChIKey
QGRAYIFHEWOOPH-UWDQQESISA-N- Molecular formula
- C27H34FN7O2
- Average molar mass
- 507.6 g/mol
- Monoisotopic mass
- 507.27580151
Names & identifiers
- Preferred name
- 1-{(3S,4S)-4-[(S)-3-(4-fluorobenzyl)-piperidin-1-ylmethyl]-tetrahydro-pyran-3-yl}-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
- IUPAC
- 1-[(3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
Names & synonyms
SCHEMBL6344826QGRAYIFHEWOOPH-UWDQQESISA-N1-{(3S,4S)-4-[(S)-3-(4-fluorobenzyl)-piperidin-1-ylmethyl]-tetrahydro-pyran-3-yl}-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
Database identifiers
- PubChem CID
- 69747645
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 725
Related reactions
2 records
Compound notes
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