1-tert-butyl 3-methyl (3R,5S)-5-[({1-(2-fluorophenyl)-5-[(methylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)(2-methylpropyl)amino]piperidine-1,3-dicarboxylate
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Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@H](N(CC(C)C)C(=O)c2nnn(-c3ccccc3F)c2CSC)CN(C(=O)OC(C)(C)C)C1- InChIKey
ARLKNGPVXYZYSB-MOPGFXCFSA-N- Molecular formula
- C27H38FN5O5S
- Average molar mass
- 563.7 g/mol
Names & identifiers
- Preferred name
- 1-tert-butyl 3-methyl (3R,5S)-5-[({1-(2-fluorophenyl)-5-[(methylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)(2-methylpropyl)amino]piperidine-1,3-dicarboxylate
- IUPAC
- 1-O-tert-butyl 3-O-methyl (3R,5S)-5-[[1-(2-fluorophenyl)-5-(methylsulfanylmethyl)triazole-4-carbonyl]-(2-methylpropyl)amino]piperidine-1,3-dicarboxylate
Names & synonyms
SCHEMBL7948172ARLKNGPVXYZYSB-MOPGFXCFSA-N1-tert-butyl 3-methyl (3R,5S)-5-[({1-(2-fluorophenyl)-5-[(methylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl) (2-methylpropyl)amino]piperidine-1,3-dicarboxylate1-tert-butyl 3-methyl (3R,5S)-5-[({1-(2-fluorophenyl)-5-[(methylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)(2-methylpropyl)amino]piperidine-1,3-dicarboxylate1-tert-butyl 3-methyl(3r,5s)-5-[({1-(2-fluorophenyl)-5-[(methylsulfanyl)methyl]-1h-1,2,3-triazol-4-yl}carbonyl)(2-methylpropyl)amino]piperidine-1,3-dicarboxylate
Database identifiers
- PubChem CID
- 58355482
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 859
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Related reactions
4 records
Compound notes
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