Basic information
- Standard SMILES
CC(C)CN(C(=O)c1nc2ccccc2n1CCc1ccccc1)[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1- InChIKey
KIBDHCKONJTPIC-IZLXSDGUSA-N- Molecular formula
- C35H47N5O5
- Average molar mass
- 617.8 g/mol
Names & identifiers
- Preferred name
- tert-butyl (3S,5R)-3-{(2-methylpropyl){{1-(2-phenylethyl)-1H-benzimidazol-2-yl}carbonyl}amino}-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3S,5R)-3-[2-methylpropyl-[1-(2-phenylethyl)benzimidazole-2-carbonyl]amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL1422453KIBDHCKONJTPIC-IZLXSDGUSA-Ntert-butyl (3S,5R)-3-{(2-methylpropyl){{1-(2-phenylethyl)-1H-benzimidazol-2-yl}carbonyl}amino}-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 58355172
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
4 records
Compound notes
Loading…