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Basic information
- Standard SMILES
Cc1ccccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3COc3ccc(C(=O)O)cc3)c(F)c2o1- InChIKey
JRELJDYNGKHCTR-PMACEKPBSA-N- Molecular formula
- C28H25F2N3O5
- Average molar mass
- 521.5 g/mol
Names & identifiers
- Preferred name
- 4-((2S,4S)-1-(7-Fluoro-2-(2-methylphenylamino)-6-benzoxazolylacetyl)-4-fluoro-2-pyrrolidinylmethoxy)benzoic acid
- IUPAC
- 4-[[(2S,4S)-4-fluoro-1-[2-[7-fluoro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]methoxy]benzoic acid
Names & synonyms
SCHEMBL2431958JRELJDYNGKHCTR-PMACEKPBSA-N4-((2S,4S)-1-(7-Fluoro-2-(2-methylphenylamino)-6-benzoxazolylacetyl)-4-fluoro-2-pyrrolidinylmethoxy)benzoic acid
Database identifiers
- PubChem CID
- 58778628
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 828
Related reactions
1 records
Compound notes
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