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Basic information
- Standard SMILES
CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)[O-]- InChIKey
BPLBGHOLXOTWMN-UHFFFAOYSA-M- Molecular formula
- C16H17N2O5S-
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.08581782
Names & identifiers
- Preferred name
- 3,3-Dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- IUPAC
- 3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Database identifiers
- PubChem CID
- 4730
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- -1
- Complexity
- 541
Related reactions
1 records
Compound notes
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