Basic information
- Standard SMILES
CCOC(=O)C1=C(CN2CCO[C@H](C)[C@H]2C(=O)O)NC(c2nccs2)=NC1c1ccc(F)cc1Br- InChIKey
JCYVCUQLJYFUFA-KZVXBFFYSA-N- Molecular formula
- C23H24BrFN4O5S
- Average molar mass
- 567.4 g/mol
Names & identifiers
- Preferred name
- (2R,3S)-4-((6-(2-bromo-4-fluorophenyl)-5-(ethoxycarbonyl)-2-(thiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)-2-methylmorpholine-3-carboxylic acid
- IUPAC
- (2R,3S)-4-[[4-(2-bromo-4-fluorophenyl)-5-ethoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-2-methylmorpholine-3-carboxylic acid
Names & synonyms
CHEMBL4059649SCHEMBL15515759JCYVCUQLJYFUFA-KZVXBFFYSA-NBDBM50247691(2R,3S)-4-((6-(2-bromo-4-fluorophenyl)-5-(ethoxycarbonyl)-2-(thiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)-2-methylmorpholine-3-carboxylic acid
Database identifiers
- PubChem CID
- 73295804
- ChEMBL
CHEMBL4059649
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 877
Related reactions
1 records
Compound notes
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