Basic information
- Standard SMILES
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O- InChIKey
UIOFUWFRIANQPC-UHFFFAOYSA-N- Molecular formula
- C19H17ClFN3O5S
- Average molar mass
- 453.9 g/mol
- Monoisotopic mass
- 453.0561477
Names & identifiers
- Preferred name
- 6-(((3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- IUPAC
- 6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
CHEMBL1622855SCHEMBL14126462DTXSID70859683AKOS030241643NS000016546-(((3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid6-[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid6-{[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Database identifiers
- PubChem CID
- 3364
- DTXSID
DTXSID70859683- ChEMBL
CHEMBL1622855
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 758
Experimental & physicochemical properties
DrugsPharmaceuticals
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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