Basic information
- CAS
22688-46-6- Standard SMILES
CCONC(=O)C1N2C(=O)C(NC(=O)Cc3ccccc3)C2SC1(C)C- InChIKey
FLOMJSVKTIIALC-UHFFFAOYSA-N- Molecular formula
- C18H23N3O4S
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.1409274
Names & identifiers
- Preferred name
- N-Ethoxy-6-[(1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboximidic acid
- IUPAC
- N-ethoxy-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
Names & synonyms
DTXSID50945356N-Ethoxy-6-[(1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboximidic acid
Database identifiers
- CAS
22688-46-6- PubChem CID
- 31489
- DTXSID
DTXSID50945356
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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