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Basic information
- Standard SMILES
Cc1c(C(=NO)c2nccs2)c(F)c(C)c(N2C[C@@H](C)O[C@@H](C)C2)c1C(=O)O- InChIKey
GPRJYJRZMXKUNG-AOOOYVTPSA-N- Molecular formula
- C19H22FN3O4S
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.13150553
Names & identifiers
- Preferred name
- methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-fluoro-5-[(hydroxyimino)(1,3-thiazol-2-yl)methyl]-3-methylbenzoic acid
- IUPAC
- 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluoro-5-[N-hydroxy-C-(1,3-thiazol-2-yl)carbonimidoyl]-3,6-dimethylbenzoic acid
Names & synonyms
SCHEMBL2309842GPRJYJRZMXKUNG-AOOOYVTPSA-Nmethyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-fluoro-5-[(hydroxyimino)(1,3-thiazol-2-yl)methyl]-3-methylbenzoic acid
Database identifiers
- PubChem CID
- 136385151
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 600
Related reactions
2 records
Compound notes
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