Basic information
- Standard SMILES
COCCCCn1c(C(=O)N(CC(C)C)[C@H]2C[C@@H](C(O)c3ccccn3)CN(C(=O)OC(C)(C)C)C2)nc2ccccc21- InChIKey
NQRAHTSSTPDUHI-SYXMPNKISA-N- Molecular formula
- C33H47N5O5
- Average molar mass
- 593.8 g/mol
Names & identifiers
- Preferred name
- tert-butyl (3R,5S)-3-[hydroxy(pyridin-2-yl)methyl]-5-[{[1-(4-methoxybutyl)-1H-benzimidazol-2-yl)carbonyl)(2-methylpropyl)amino)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3R,5S)-3-[hydroxy(pyridin-2-yl)methyl]-5-[[1-(4-methoxybutyl)benzimidazole-2-carbonyl]-(2-methylpropyl)amino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL12440893NQRAHTSSTPDUHI-SYXMPNKISA-Ntert-butyl (3R,5S)-3-[hydroxy(pyridin-2-yl)methyl]-5-[{[1-(4-methoxybutyl)-1H-benzimidazol-2-yl) carbonyl) (2-methylpropyl)amino)piperidine-1-carboxylatetert-butyl (3R,5S)-3-[hydroxy(pyridin-2-yl)methyl]-5-[{[1-(4-methoxybutyl)-1H-benzimidazol-2-yl)carbonyl }(2-methylpropyl)amino)piperidine-1-carboxylatetert-butyl (3R,5S)-3-[hydroxy(pyridin-2-yl)methyl]-5-[{[1-(4-methoxybutyl)-1H-benzimidazol-2-yl)carbonyl)(2-methylpropyl)amino)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 58355751
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 897
Related reactions
4 records
Compound notes
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