Basic information
- Standard SMILES
CCOC(=O)C1=C(CN2CCOC[C@H]2C(=O)NOC)NC(c2nccs2)=NC1c1ccc(F)cc1Br- InChIKey
KXEOSXSMPDLYKW-KKFHFHRHSA-N- Molecular formula
- C23H25BrFN5O5S
- Average molar mass
- 582.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(2-bromo-4-fluorophenyl)-6-(((S)-3-(methoxycarbamoyl)morpholino)methyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
- IUPAC
- ethyl 4-(2-bromo-4-fluorophenyl)-6-[[(3S)-3-(methoxycarbamoyl)morpholin-4-yl]methyl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
Names & synonyms
SCHEMBL16755082KXEOSXSMPDLYKW-KKFHFHRHSA-NEthyl 4-(2-bromo-4-fluorophenyl)-6-(((S)-3-(methoxycarbamoyl)morpholino)methyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
Database identifiers
- PubChem CID
- 73296133
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 880
Related reactions
1 records
Compound notes
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