Basic information
- Standard SMILES
CN1CCN(C(=O)OC(C)(C)C)C(c2ccc(Nc3nc(Br)cn(C)c3=O)cc2)C1=O- InChIKey
MJVUASLNRFPCMS-UHFFFAOYSA-N- Molecular formula
- C21H26BrN5O4
- Average molar mass
- 492.4 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 2-(4-(6-Bromo-4-methyl-3-oxo-3,4-dihydropyrazin-2-ylamino)phenyl)-4-methyl-3-oxopiperazine-1-carboxylate
- IUPAC
- tert-butyl 2-[4-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]phenyl]-4-methyl-3-oxopiperazine-1-carboxylate
Names & synonyms
tert-Butyl 2-(4-(6-Bromo-4-methyl-3-oxo-3,4-dihydropyrazin-2-ylamino)phenyl)-4-methyl-3-oxopiperazine-1-carboxylateSCHEMBL15344518MJVUASLNRFPCMS-UHFFFAOYSA-N1361940-91-1DB-321544
Database identifiers
- PubChem CID
- 86699861
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 798
Related reactions
3 records
Compound notes
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