Basic information
- Standard SMILES
COc1ccc(Cn2cc(Cl)nc(C#CC3CCN(C(=O)OC(C)(C)C)CC3)c2=O)cc1- InChIKey
YSBNUEBBOGAQQB-UHFFFAOYSA-N- Molecular formula
- C24H28ClN3O4
- Average molar mass
- 457.9 g/mol
Names & identifiers
- Preferred name
- 4-[6-Chloro-4-(4-methoxy-benzyl)-3-oxo-3,4-dihydro-pyrazin-2-ylethynyl]-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[2-[6-chloro-4-[(4-methoxyphenyl)methyl]-3-oxopyrazin-2-yl]ethynyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL9936131YSBNUEBBOGAQQB-UHFFFAOYSA-N4-[6-Chloro-4-(4-methoxy-benzyl)-3-oxo-3,4-dihydro-pyrazin-2-ylethynyl]-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67973258
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 832
Related reactions
2 records
Compound notes
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