2,2,2-Trichloroethyl 2-bromoethyl-2-methyl-6-(2-phenyl-acetamido)penam-3-carboxylate
Basic information
- Standard SMILES
CC1(CCBr)S[C@@H]2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)OCC(Cl)(Cl)Cl- InChIKey
RPKNXERBRTUBCR-PWSPWJLVSA-N- Molecular formula
- C19H20BrCl3N2O4S
- Average molar mass
- 558.7 g/mol
- Monoisotopic mass
- 555.93927
Names & identifiers
- Preferred name
- 2,2,2-Trichloroethyl 2-bromoethyl-2-methyl-6-(2-phenyl-acetamido)penam-3-carboxylate
- IUPAC
- 2,2,2-trichloroethyl (5R)-3-(2-bromoethyl)-3-methyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Names & synonyms
SCHEMBL11491049RPKNXERBRTUBCR-PWSPWJLVSA-N2,2,2-trichloroethyl 2-bromoethyl-2-methyl-6-(2-phenyl-acetamido)penam-3-carboxylate2,2,2-trichloroethyl 2-bromoethyl-2-methyl-6-(2-phenylacetamido)penam-3-carboxylate
Database identifiers
- PubChem CID
- 70596158
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 689
Related reactions
2 records
Compound notes
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