Basic information
- Standard SMILES
COC(=O)CCCNC(=O)c1cc(-c2ccc(NC(=O)Nc3ccccc3F)cc2)no1- InChIKey
PZBLGTQEQUSRLW-UHFFFAOYSA-N- Molecular formula
- C22H21FN4O5
- Average molar mass
- 440.4 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(3-(4-(3-(2-fluorophenyl)ureido)phenyl)isoxazole-5-carboxamido)butanoate
- IUPAC
- methyl 4-[[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]amino]butanoate
Names & synonyms
SCHEMBL2293643PZBLGTQEQUSRLW-UHFFFAOYSA-NMethyl 4-(3-(4-(3-(2-fluorophenyl)ureido)phenyl)isoxazole-5-carboxamido)butanoate
Database identifiers
- PubChem CID
- 67352162
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 644
Related reactions
1 records
Compound notes
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