Basic information
- Standard SMILES
CCOC(=O)C1=C(CN2CCOC(C)(C)[C@H]2C(=O)O)NC(c2nccs2)=NC1c1ccc(F)cc1Br- InChIKey
OFSKLFARLHTLCF-MUMRKEEXSA-N- Molecular formula
- C24H26BrFN4O5S
- Average molar mass
- 581.5 g/mol
- Monoisotopic mass
- 580.07913
Names & identifiers
- Preferred name
- (3S)-4-((6-(2-bromo-4-fluorophenyl)-5-(ethoxycarbonyl)-2-(thiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)-2,2-dimethylmorpholine-3-carboxylic acid
- IUPAC
- (3S)-4-[[4-(2-bromo-4-fluorophenyl)-5-ethoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-2,2-dimethylmorpholine-3-carboxylic acid
Names & synonyms
SCHEMBL15572016OFSKLFARLHTLCF-MUMRKEEXSA-N(3S)-4-((6-(2-bromo-4-fluorophenyl)-5-(ethoxycarbonyl)-2-(thiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)-2,2-dimethylmorpholine-3-carboxylic acid
Database identifiers
- PubChem CID
- 90042657
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 919
Related reactions
1 records
Compound notes
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