Basic information
- Standard SMILES
C[C@@H]1CN(Cc2cncn2Cc2ccc(C#N)cc2)[C@@H](C)CN1C(=O)OC(C)(C)C- InChIKey
SYISGYVSVAQIQK-ZWKOTPCHSA-N- Molecular formula
- C23H31N5O2
- Average molar mass
- 409.5 g/mol
Names & identifiers
- Preferred name
- 1-(1-(4-Cyanobenzyl)imidazole-5-ylmethyl)-4-(tert-butyloxycarbonyl)-(trans)2,5-dimethylpiperazine
- IUPAC
- tert-butyl (2R,5S)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-2,5-dimethylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL7648891SYISGYVSVAQIQK-ZWKOTPCHSA-N1-(1-(4-Cyanobenzyl)imidazole-5-ylmethyl)-4-(tert-butyloxycarbonyl)-(trans)2,5-dimethylpiperazine
Database identifiers
- PubChem CID
- 70153172
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 631
Related reactions
1 records
Compound notes
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