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Basic information
- Standard SMILES
COc1ccc(N2CCN(C(=O)[C@H](N)C(C)(C)O)[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1- InChIKey
CQXOHXDMKUFHLG-NVQXNPDNSA-N- Molecular formula
- C28H39N3O4
- Average molar mass
- 481.6 g/mol
- Monoisotopic mass
- 481.29405673
Names & identifiers
- Preferred name
- (R)-2-amino-1-((S)-2-benzyl-4-(3-(cyclopentyloxy)-4-methoxyphenyl)piperazin-1-yl)-3-hydroxy-3-methylbutan-1-one
- IUPAC
- (2R)-2-amino-1-[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one
Names & synonyms
SCHEMBL681875CQXOHXDMKUFHLG-NVQXNPDNSA-N(R)-2-amino-1-((S)-2-benzyl-4-(3-(cyclopentyloxy)-4-methoxyphenyl)piperazin-1-yl)-3-hydroxy-3-methylbutan-1-one
Database identifiers
- PubChem CID
- 52918656
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 677
Related reactions
1 records
Compound notes
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