Basic information
- Standard SMILES
CC(C)CN(C(=O)c1nc2ccccc2n1CCc1cccs1)[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1- InChIKey
WCYZNQNYHVXZLG-RPBOFIJWSA-N- Molecular formula
- C33H45N5O5S
- Average molar mass
- 623.8 g/mol
- Monoisotopic mass
- 623.31414073
Names & identifiers
- Preferred name
- tert-butyl (3S,5R)-3-{(2-methylpropyl) {{1-(2-(thiophen-2-yl)ethyl)-1H-benzimidazol-2-yl}carbonyl}amino}-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3S,5R)-3-[2-methylpropyl-[1-(2-thiophen-2-ylethyl)benzimidazole-2-carbonyl]amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
Names & synonyms
tert-butyl (3S,5R)-3-{(2-methylpropyl){{1-(2-(thiophen-2-yl)ethyl)-1H-benzimidazol-2-yl}carbonyl}amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylatetert-butyl (3S,5R)-3-{(2-methylpropyl){{1-(2-(thiophen-2-yl)ethyl)-1H-benzimidazol-2-yl}carbonyl}amino}-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylateSCHEMBL2215471WCYZNQNYHVXZLG-RPBOFIJWSA-Ntert-butyl (3S,5R)-3-{(2-methylpropyl) {{1-(2-(thiophen-2-yl)ethyl)-1H-benzimidazol-2-yl}carbonyl}amino}-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 58355355
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
4 records
Compound notes
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