Basic information
- Standard SMILES
CCOC(=O)C1=C(CN2CCOC[C@H]2C(=O)NO)NC(c2nccs2)=NC1c1ccc(F)cc1Br- InChIKey
GQHQAAHOHSWJPR-ATNAJCNCSA-N- Molecular formula
- C22H23BrFN5O5S
- Average molar mass
- 568.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(2-bromo-4-fluorophenyl)-6-(((S)-3-(hydroxycarbamoyl)morpholino)methyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
- IUPAC
- ethyl 4-(2-bromo-4-fluorophenyl)-6-[[(3S)-3-(hydroxycarbamoyl)morpholin-4-yl]methyl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
Names & synonyms
SCHEMBL16755020GQHQAAHOHSWJPR-ATNAJCNCSA-NEthyl 4-(2-bromo-4-fluorophenyl)-6-(((S)-3-(hydroxycarbamoyl)morpholino)methyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
Database identifiers
- PubChem CID
- 73296134
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 864
Related reactions
1 records
Compound notes
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