Phenylmethyl 2-((3S,1R)-3-{[5-methyl-3-(6-fluoro-2-iodophenyl)isoxazol-4-yl]carbonylamino}cyclohexyl)acetate
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Basic information
- Standard SMILES
Cc1onc(-c2c(F)cccc2I)c1C(=O)N[C@H]1CCC[C@@H](CC(=O)OCc2ccccc2)C1- InChIKey
DCXSMXMNXSOSPG-MOPGFXCFSA-N- Molecular formula
- C26H26FIN2O4
- Average molar mass
- 576.4 g/mol
Names & identifiers
- Preferred name
- Phenylmethyl 2-((3S,1R)-3-{[5-methyl-3-(6-fluoro-2-iodophenyl)isoxazol-4-yl]carbonylamino}cyclohexyl)acetate
- IUPAC
- benzyl 2-[(1R,3S)-3-[[3-(2-fluoro-6-iodophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclohexyl]acetate
Names & synonyms
SCHEMBL6638023DCXSMXMNXSOSPG-MOPGFXCFSA-NPhenylmethyl 2-((3S,1R)-3-{[5-methyl-3-(6-fluoro-2-iodophenyl)isoxazol-4-yl]carbonylamino}cyclohexyl)acetate
Database identifiers
- PubChem CID
- 69848288
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 692
Related reactions
1 records
Compound notes
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