(3S,6R)-1,4-bis[(4-methoxyphenyl)methyl]-3-propan-2-yl-6-prop-2-ynylpiperazine-2,5-dione
Basic information
- CAS
205517-38-0- Standard SMILES
C#CC[C@@H]1C(=O)N(Cc2ccc(OC)cc2)[C@@H](C(C)C)C(=O)N1Cc1ccc(OC)cc1- InChIKey
OHRRBCMDVSOZPG-RPWUZVMVSA-N- Molecular formula
- C26H30N2O4
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.22055744
Names & identifiers
- Preferred name
- (3S,6R)-1,4-bis[(4-methoxyphenyl)methyl]-3-propan-2-yl-6-prop-2-ynylpiperazine-2,5-dione
- IUPAC
- (3S,6R)-1,4-bis[(4-methoxyphenyl)methyl]-3-propan-2-yl-6-prop-2-ynylpiperazine-2,5-dione
Names & synonyms
NSC709906CHEMBL1980214DTXSID301116409NSC-709906205517-38-0NCI60_038694(3S,6R)-1,4-Bis[(4-methoxyphenyl)methyl]-3-(1-methylethyl)-6-(2-propyn-1-yl)-2,5-piperazinedione(3S,6R)-1,4-Bis[(4-methoxyphenyl)methyl]-3-(propan-2-yl)-6-(prop-2-yn-1-yl)piperazine-2,5-dione
Database identifiers
- CAS
205517-38-0- PubChem CID
- 399233
- DTXSID
DTXSID301116409- ChEMBL
CHEMBL1980214- Nikkaji
- J976.951J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 683
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Compound notes
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