tert-Butyl 3-(4-(6-Bromo-4-methyl-3-oxo-3,4-dihydropyrazin-2-ylamino)phenyl)azetidine-1-carboxylate
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Basic information
- Standard SMILES
Cn1cc(Br)nc(Nc2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2)c1=O- InChIKey
IMTWSAHRVGPVQE-UHFFFAOYSA-N- Molecular formula
- C19H23BrN4O3
- Average molar mass
- 435.3 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 3-(4-(6-Bromo-4-methyl-3-oxo-3,4-dihydropyrazin-2-ylamino)phenyl)azetidine-1-carboxylate
- IUPAC
- tert-butyl 3-[4-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]phenyl]azetidine-1-carboxylate
Names & synonyms
SCHEMBL10256994IMTWSAHRVGPVQE-UHFFFAOYSA-NDB-2103551346676-22-9Tert-butyl 3-(4-(6-bromo-3,4-dihydro-4-methyl-3-oxopyrazin-2-ylamino)phenyl)azetidine-1-carboxylatetert-Butyl 3-(4-(6-Bromo-4-methyl-3-oxo-3,4-dihydropyrazin-2-ylamino)phenyl)azetidine-1-carboxylate
Database identifiers
- PubChem CID
- 58044293
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 656
Related reactions
4 records
Compound notes
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