Basic information
- Standard SMILES
COC(=O)[C@H](C)Nc1cc(C(=O)O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1- InChIKey
WCRBNOREWVLNLP-LBPRGKRZSA-N- Molecular formula
- C21H18FN3O5
- Average molar mass
- 411.4 g/mol
Names & identifiers
- Preferred name
- (S)-2-(4-(4-fluorophenoxy)phenyl)-6-((1-methoxy-1-oxopropan-2-yl)amino)pyrimidine-4-carboxylic acid
- IUPAC
- 2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]pyrimidine-4-carboxylic acid
Names & synonyms
CHEMBL3902732SCHEMBL14743898WCRBNOREWVLNLP-LBPRGKRZSA-NBDBM185944US9163008, 33(S)-2-(4-(4-fluorophenoxy)phenyl)-6-((1-methoxy-1-oxopropan-2-yl)amino)pyrimidine-4-carboxylic acid
Database identifiers
- PubChem CID
- 71283606
- ChEMBL
CHEMBL3902732
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 579
Related reactions
1 records
Compound notes
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