Basic information
- Standard SMILES
COC[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1CC(=O)N1CC(C)(C)c2ccc(Cl)cc21- InChIKey
OQFKOJZXYWRQAE-SJLPKXTDSA-N- Molecular formula
- C24H36ClN3O4
- Average molar mass
- 466 g/mol
Names & identifiers
- Preferred name
- (2R,5R)-4-[2-(6-Chloro-3,3-dimethyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-5-methoxymethyl-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2R,5R)-4-[2-(6-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL15812066OQFKOJZXYWRQAE-SJLPKXTDSA-N(2R,5R)-4-[2-(6-Chloro-3,3-dimethyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-5-methoxymethyl-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 86723925
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 695
Related reactions
1 records
Compound notes
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