[5-(4'-Cyanomethyl-biphenyl-4-yl)-3-methyl-isoxazol-4-yl]-carbamic acid (R)-1-(2-fluoro-phenyl)-ethyl ester
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Basic information
- Standard SMILES
Cc1noc(-c2ccc(-c3ccc(CC#N)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1F- InChIKey
GGBQHSGLUNQRHB-GOSISDBHSA-N- Molecular formula
- C27H22FN3O3
- Average molar mass
- 455.5 g/mol
Names & identifiers
- Preferred name
- [5-(4'-Cyanomethyl-biphenyl-4-yl)-3-methyl-isoxazol-4-yl]-carbamic acid (R)-1-(2-fluoro-phenyl)-ethyl ester
- IUPAC
- [(1R)-1-(2-fluorophenyl)ethyl] N-[5-[4-[4-(cyanomethyl)phenyl]phenyl]-3-methyl-1,2-oxazol-4-yl]carbamate
Names & synonyms
SCHEMBL2288089GGBQHSGLUNQRHB-GOSISDBHSA-N[5-(4'-Cyanomethyl-biphenyl-4-yl)-3-methyl-isoxazol-4-yl]-carbamic acid (R)-1-(2-fluoro-phenyl)-ethyl ester
Database identifiers
- PubChem CID
- 46239205
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 711
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Related reactions
6 records
Compound notes
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