Basic information
- Standard SMILES
CCOC(=O)[C@H](C)Oc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1- InChIKey
CQOCBALSBURRML-ZDUSSCGKSA-N- Molecular formula
- C22H20FN3O5
- Average molar mass
- 425.4 g/mol
Names & identifiers
- Preferred name
- (S)-ethyl 2-((6-carbamoyl-2-(4-(4-fluorophenoxy)phenyl)pyrimidin-4-yl)oxy)propanoate
- IUPAC
- ethyl (2S)-2-[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]oxypropanoate
Names & synonyms
SCHEMBL14754543CQOCBALSBURRML-ZDUSSCGKSA-N(S)-ethyl 2-((6-carbamoyl-2-(4-(4-fluorophenoxy)phenyl) pyrimidin-4-yl)oxy)propanoate(S)-ethyl 2-((6-carbamoyl-2-(4-(4-fluorophenoxy)phenyl)pyrimidin-4-yl)oxy)propanoate
Database identifiers
- PubChem CID
- 71290103
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 594
Related reactions
2 records
Compound notes
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