Basic information
- Standard SMILES
CC(=O)OC(c1cn2c(n1)CN(C)C(=O)C2)C1(Br)C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CSC21- InChIKey
CFXSYGXPUUZDAG-UHFFFAOYSA-N- Molecular formula
- C23H20BrN5O8S
- Average molar mass
- 606.4 g/mol
Names & identifiers
- Preferred name
- (4-Nitrophenyl)methyl 6-[acetyloxy-(7-methyl-6-oxo-5,8-dihydroimidazo[1,2-a]pyrazin-2-yl)methyl]-6-bromo-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
- IUPAC
- (4-nitrophenyl)methyl 6-[acetyloxy-(7-methyl-6-oxo-5,8-dihydroimidazo[1,2-a]pyrazin-2-yl)methyl]-6-bromo-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Names & synonyms
SCHEMBL2925751
Database identifiers
- PubChem CID
- 68443372
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
1 records
Compound notes
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